1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

C24H20F2N6O — CID 166984673

About 1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (PubChem CID 166984673) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
• PubChem CID: 166984673
• Molecular Formula: C24H20F2N6O
• Molecular Weight: 446.46 g/mol
• Exact Mass: 446.17
• IUPAC Name: 1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
• SMILES: O=C(NCCc1nnc2ccccn12)c1nn(CCc2ccc(F)cc2F)c2ccccc12
• InChI: InChI=1S/C24H20F2N6O/c25-17-9-8-16(19(26)15-17)11-14-32-20-6-2-1-5-18(20)23(30-32)24(33)27-12-10-22-29-28-21-7-3-4-13-31(21)22/h1-9,13,15H,10-12,14H2,(H,27,33)
• InChIKey: CFFGNVMPPZRMEQ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.46
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (CID 166984673) is 1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

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

The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is O=C(NCCc1nnc2ccccn12)c1nn(CCc2ccc(F)cc2F)c2ccccc12.

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

The InChIKey is CFFGNVMPPZRMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c25-17-9-8-16(19(26)15-17)11-14-32-20-6-2-1-5-18(20)23(30-32)24(33)27-12-10-22-29-28-21-7-3-4-13-31(21)22/h1-9,13,15H,10-12,14H2,(H,27,33).

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

1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,4-difluorophenyl)ethyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 166984673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).