1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

C24H19ClN6O3 — CID 166984580

About 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (PubChem CID 166984580) has the molecular formula C24H19ClN6O3 and a molecular weight of 474.91 g/mol. Its IUPAC name is 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
• PubChem CID: 166984580
• Molecular Formula: C24H19ClN6O3
• Molecular Weight: 474.91 g/mol
• Exact Mass: 474.12
• IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
• SMILES: O=C(NCCc1nnc2ccccn12)c1nn(Cc2cc3c(cc2Cl)OCO3)c2ccccc12
• InChI: InChI=1S/C24H19ClN6O3/c25-17-12-20-19(33-14-34-20)11-15(17)13-31-18-6-2-1-5-16(18)23(29-31)24(32)26-9-8-22-28-27-21-7-3-4-10-30(21)22/h1-7,10-12H,8-9,13-14H2,(H,26,32)
• InChIKey: KSJCGZCMBPYWGO-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 95.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.91
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?

The IUPAC name of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (CID 166984580) is 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

What is the SMILES notation for 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?

The canonical SMILES for 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is O=C(NCCc1nnc2ccccn12)c1nn(Cc2cc3c(cc2Cl)OCO3)c2ccccc12.

What is the InChIKey of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?

The InChIKey is KSJCGZCMBPYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O3/c25-17-12-20-19(33-14-34-20)11-15(17)13-31-18-6-2-1-5-16(18)23(29-31)24(32)26-9-8-22-28-27-21-7-3-4-10-30(21)22/h1-7,10-12H,8-9,13-14H2,(H,26,32).

What are the key properties of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?

1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide has a molecular weight of 474.91 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 166984580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).