N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

C30H23F2N9O5S — CID 155517607

About N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155517607) has the molecular formula C30H23F2N9O5S and a molecular weight of 659.64 g/mol. Its IUPAC name is N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 155517607
• Molecular Formula: C30H23F2N9O5S
• Molecular Weight: 659.64 g/mol
• Exact Mass: 659.15
• IUPAC Name: N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccc3ncc(C(=O)NCc4cn(-c5ccccc5C(N)=O)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C30H23F2N9O5S/c1-46-30-23(38-47(44,45)26-8-7-19(31)11-22(26)32)10-18(12-36-30)17-6-9-27-34-14-25(40(27)15-17)29(43)35-13-20-16-41(39-37-20)24-5-3-2-4-21(24)28(33)42/h2-12,14-16,38H,13H2,1H3,(H2,33,42)(H,35,43)
• InChIKey: IKPNLJROQBJGSO-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 188.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.64
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155517607) is N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ncc(-c2ccc3ncc(C(=O)NCc4cn(-c5ccccc5C(N)=O)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is IKPNLJROQBJGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N9O5S/c1-46-30-23(38-47(44,45)26-8-7-19(31)11-22(26)32)10-18(12-36-30)17-6-9-27-34-14-25(40(27)15-17)29(43)35-13-20-16-41(39-37-20)24-5-3-2-4-21(24)28(33)42/h2-12,14-16,38H,13H2,1H3,(H2,33,42)(H,35,43).

What are the key properties of N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 659.64 g/mol, XLogP of 3.09, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2-carbamoylphenyl)triazol-4-yl]methyl]-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155517607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).