| Formula |
C26H29N5O2 |
| IUPAC Name |
1-[2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-ium-7-yl]phenyl]ethyl]piperidin-4-ol |
| Molecular Mass |
443.541 g·mol−1 |
| Heat of Formation |
39.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.98 ± 1.08 D |
| Volume |
537.16 Å 3 |
| Surface Area |
468.93 Å 2 |
| HOMO Energy |
-8.42 ± 0.55 eV |
| LUMO Energy |
2.60 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-[2-[4-[4-amino-5-(3-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]phenyl]ethyl]-4-piperidinol
- 1-[2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]ethyl]piperidin-4-ol
- cgp77675
|
| InChIKey |
WUPXZZWTHIZICK-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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