N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide

C25H17N7O — CID 121036947

About N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide

N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide (PubChem CID 121036947) has the molecular formula C25H17N7O and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide
• PubChem CID: 121036947
• Molecular Formula: C25H17N7O
• Molecular Weight: 431.46 g/mol
• Exact Mass: 431.15
• IUPAC Name: N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide
• SMILES: O=C(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C25H17N7O/c33-25(20-15-27-22-6-2-1-5-19(20)22)28-18-9-7-16(8-10-18)21-11-12-23-29-30-24(32(23)31-21)17-4-3-13-26-14-17/h1-15,27H,(H,28,33)
• InChIKey: SBTQDDLEOLRTFF-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.46
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide?

The IUPAC name of N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide (CID 121036947) is N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide.

What is the SMILES notation for N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide?

The canonical SMILES for N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide is O=C(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)c1c[nH]c2ccccc12.

What is the InChIKey of N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide?

The InChIKey is SBTQDDLEOLRTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N7O/c33-25(20-15-27-22-6-2-1-5-19(20)22)28-18-9-7-16(8-10-18)21-11-12-23-29-30-24(32(23)31-21)17-4-3-13-26-14-17/h1-15,27H,(H,28,33).

What are the key properties of N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide?

N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 121036947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).