About N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (PubChem CID 154633351) has the molecular formula C24H20N8O3S
and a molecular weight of 500.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.
Molecular Properties
| Compound Name | N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide |
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| PubChem CID | 154633351 |
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| Molecular Formula | C24H20N8O3S |
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| Molecular Weight | 500.54 g/mol |
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| Exact Mass | 500.14 |
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| IUPAC Name | N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide |
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| SMILES | O=CN(c1cc(-c2ccc(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)cc2)c2cc[nH]c2n1)C1CC1 |
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| InChI | InChI=1S/C24H20N8O3S/c33-15-31(18-5-6-18)23-13-22(21-11-12-25-24(21)27-23)16-1-3-17(4-2-16)28-36(34,35)20-9-7-19(8-10-20)32-14-26-29-30-32/h1-4,7-15,18,28H,5-6H2,(H,25,27) |
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| InChIKey | FBYPDDLBTVMVEJ-UHFFFAOYSA-N |
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| XLogP | 3.13 |
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| TPSA | 138.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 500.54 |
| LogP ≤ 5 | 3.13 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The IUPAC name of N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (CID 154633351) is N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The canonical SMILES for N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is O=CN(c1cc(-c2ccc(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)cc2)c2cc[nH]c2n1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The InChIKey is FBYPDDLBTVMVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O3S/c33-15-31(18-5-6-18)23-13-22(21-11-12-25-24(21)27-23)16-1-3-17(4-2-16)28-36(34,35)20-9-7-19(8-10-20)32-14-26-29-30-32/h1-4,7-15,18,28H,5-6H2,(H,25,27).
What are the key properties of N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide has a molecular weight of 500.54 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is sourced from PubChem (CID 154633351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).