N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

C24H20N8O3S — CID 154633351

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
• PubChem CID: 154633351
• Molecular Formula: C24H20N8O3S
• Molecular Weight: 500.54 g/mol
• Exact Mass: 500.14
• IUPAC Name: N-cyclopropyl-N-[4-[4-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
• SMILES: O=CN(c1cc(-c2ccc(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)cc2)c2cc[nH]c2n1)C1CC1
• 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)
• InChIKey: FBYPDDLBTVMVEJ-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 138.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
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'}

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).