About N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137088049) has the molecular formula C31H25FN6O
and a molecular weight of 516.58 g/mol. Its IUPAC name is N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.
Molecular Properties
| Compound Name | N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide |
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| PubChem CID | 137088049 |
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| Molecular Formula | C31H25FN6O |
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| Molecular Weight | 516.58 g/mol |
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| Exact Mass | 516.21 |
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| IUPAC Name | N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide |
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| SMILES | O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1)C1CCCC1 |
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| InChI | InChI=1S/C31H25FN6O/c32-25-8-4-3-7-22(25)29-24-15-28(36-26(24)11-12-34-29)30-23-14-19(9-10-27(23)37-38-30)20-13-21(17-33-16-20)35-31(39)18-5-1-2-6-18/h3-4,7-18,36H,1-2,5-6H2,(H,35,39)(H,37,38) |
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| InChIKey | XGSPOGHKPCDFAJ-UHFFFAOYSA-N |
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| XLogP | 7.10 |
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| TPSA | 99.35 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 516.58 |
| LogP ≤ 5 | 7.10 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137088049) is N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)nccc5[nH]4)c3c2)c1)C1CCCC1.
What is the InChIKey of N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is XGSPOGHKPCDFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN6O/c32-25-8-4-3-7-22(25)29-24-15-28(36-26(24)11-12-34-29)30-23-14-19(9-10-27(23)37-38-30)20-13-21(17-33-16-20)35-31(39)18-5-1-2-6-18/h3-4,7-18,36H,1-2,5-6H2,(H,35,39)(H,37,38).
What are the key properties of N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 516.58 g/mol, XLogP of 7.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137088049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).