N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H10ClF3N10O — CID 146279677

About N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146279677) has the molecular formula C20H10ClF3N10O and a molecular weight of 498.82 g/mol. Its IUPAC name is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 146279677
• Molecular Formula: C20H10ClF3N10O
• Molecular Weight: 498.82 g/mol
• Exact Mass: 498.07
• IUPAC Name: N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: N#Cc1ccc(-n2ncc(C(=O)Nc3cnc(-n4nccn4)c(Cl)c3)c2C(F)(F)F)n2ccnc12
• InChI: InChI=1S/C20H10ClF3N10O/c21-14-7-12(9-27-18(14)34-28-3-4-29-34)31-19(35)13-10-30-33(16(13)20(22,23)24)15-2-1-11(8-25)17-26-5-6-32(15)17/h1-7,9-10H,(H,31,35)
• InChIKey: VVXAVGDWAKQLQB-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 131.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.82
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146279677) is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1ccc(-n2ncc(C(=O)Nc3cnc(-n4nccn4)c(Cl)c3)c2C(F)(F)F)n2ccnc12.

What is the InChIKey of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is VVXAVGDWAKQLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF3N10O/c21-14-7-12(9-27-18(14)34-28-3-4-29-34)31-19(35)13-10-30-33(16(13)20(22,23)24)15-2-1-11(8-25)17-26-5-6-32(15)17/h1-7,9-10H,(H,31,35).

What are the key properties of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 498.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146279677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).