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

C30H24F2N8O5S — CID 155540424

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

6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155540424) has the molecular formula C30H24F2N8O5S and a molecular weight of 646.64 g/mol. Its IUPAC name is 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 155540424
• Molecular Formula: C30H24F2N8O5S
• Molecular Weight: 646.64 g/mol
• Exact Mass: 646.16
• IUPAC Name: 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: COc1ccccc1-n1cc(CNC(=O)c2cnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cn23)nn1
• InChI: InChI=1S/C30H24F2N8O5S/c1-44-26-6-4-3-5-24(26)40-17-21(36-38-40)14-34-29(41)25-15-33-28-10-7-18(16-39(25)28)19-11-23(30(45-2)35-13-19)37-46(42,43)27-9-8-20(31)12-22(27)32/h3-13,15-17,37H,14H2,1-2H3,(H,34,41)
• InChIKey: DPLVQCUQXLMXIR-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 154.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.64
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155540424) is 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ccccc1-n1cc(CNC(=O)c2cnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cn23)nn1.

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

The InChIKey is DPLVQCUQXLMXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N8O5S/c1-44-26-6-4-3-5-24(26)40-17-21(36-38-40)14-34-29(41)25-15-33-28-10-7-18(16-39(25)28)19-11-23(30(45-2)35-13-19)37-46(42,43)27-9-8-20(31)12-22(27)32/h3-13,15-17,37H,14H2,1-2H3,(H,34,41).

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

6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 646.64 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155540424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).