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

C30H32F2N10O4S — CID 155515434

IUPAC6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3ncc(C(=O)NCc4cn(CCN5CCN(C)CC5)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C30H32F2N10O4S/c1-39-7-9-40(10-8-39)11-12-41-19-23(36-38-41)16-34-29(43)26-17-33-28-6-3-20(18-42(26)28)21-13-25(30(46-2)35-15-21)37-47(44,45)27-5-4-22(31)14-24(27)32/h3-6,13-15,17-19,37H,7-12,16H2,1-2H3,(H,34,43)
InChIKeyVTGZQCJCEVIREQ-UHFFFAOYSA-N
MW666.72 g/mol
LogP2.25
Rot. Bonds11

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

6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155515434) has the molecular formula C30H32F2N10O4S and a molecular weight of 666.72 g/mol. Its IUPAC name is 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155515434
Molecular FormulaC30H32F2N10O4S
Molecular Weight666.72 g/mol
Exact Mass666.23
IUPAC Name6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3ncc(C(=O)NCc4cn(CCN5CCN(C)CC5)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C30H32F2N10O4S/c1-39-7-9-40(10-8-39)11-12-41-19-23(36-38-41)16-34-29(43)26-17-33-28-6-3-20(18-42(26)28)21-13-25(30(46-2)35-15-21)37-47(44,45)27-5-4-22(31)14-24(27)32/h3-6,13-15,17-19,37H,7-12,16H2,1-2H3,(H,34,43)
InChIKeyVTGZQCJCEVIREQ-UHFFFAOYSA-N
XLogP2.25
TPSA151.88 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.72
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]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-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155515434) is 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]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-(4-methylpiperazin-1-yl)ethyl]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-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ncc(-c2ccc3ncc(C(=O)NCc4cn(CCN5CCN(C)CC5)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VTGZQCJCEVIREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N10O4S/c1-39-7-9-40(10-8-39)11-12-41-19-23(36-38-41)16-34-29(43)26-17-33-28-6-3-20(18-42(26)28)21-13-25(30(46-2)35-15-21)37-47(44,45)27-5-4-22(31)14-24(27)32/h3-6,13-15,17-19,37H,7-12,16H2,1-2H3,(H,34,43).
What are the key properties of 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 666.72 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 12 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-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155515434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).