About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801154) has the molecular formula C32H27ClN6O2S
and a molecular weight of 595.13 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide.
Molecular Properties
| Compound Name | 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide |
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| PubChem CID | 20801154 |
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| Molecular Formula | C32H27ClN6O2S |
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| Molecular Weight | 595.13 g/mol |
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| Exact Mass | 594.16 |
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| IUPAC Name | 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide |
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| SMILES | O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N(c1ccncc1)C1CCN(c2ccncc2)CC1 |
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| InChI | InChI=1S/C32H27ClN6O2S/c33-31-6-5-30(42-31)29-20-23(36-41-29)21-38-27-4-2-1-3-22(27)19-28(38)32(40)39(25-9-15-35-16-10-25)26-11-17-37(18-12-26)24-7-13-34-14-8-24/h1-10,13-16,19-20,26H,11-12,17-18,21H2 |
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| InChIKey | JTZXTKCLAADICV-UHFFFAOYSA-N |
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| XLogP | 7.17 |
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| TPSA | 80.29 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 595.13 |
| LogP ≤ 5 | 7.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801154) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide is O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N(c1ccncc1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is JTZXTKCLAADICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN6O2S/c33-31-6-5-30(42-31)29-20-23(36-41-29)21-38-27-4-2-1-3-22(27)19-28(38)32(40)39(25-9-15-35-16-10-25)26-11-17-37(18-12-26)24-7-13-34-14-8-24/h1-10,13-16,19-20,26H,11-12,17-18,21H2.
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 595.13 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-pyridin-4-yl-N-(1-pyridin-4-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).