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

C27H27F2N9O4S — CID 155540128

IUPAC6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3ncc(C(=O)NCc4cn(CCN(C)C)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H27F2N9O4S/c1-36(2)8-9-37-16-20(33-35-37)13-31-26(39)23-14-30-25-7-4-17(15-38(23)25)18-10-22(27(42-3)32-12-18)34-43(40,41)24-6-5-19(28)11-21(24)29/h4-7,10-12,14-16,34H,8-9,13H2,1-3H3,(H,31,39)
InChIKeyIODIPXQDZJGDMQ-UHFFFAOYSA-N
MW611.64 g/mol
LogP2.57
Rot. Bonds11

About 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(dimethylamino)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-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155540128) has the molecular formula C27H27F2N9O4S and a molecular weight of 611.64 g/mol. Its IUPAC name is 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(dimethylamino)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-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155540128
Molecular FormulaC27H27F2N9O4S
Molecular Weight611.64 g/mol
Exact Mass611.19
IUPAC Name6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3ncc(C(=O)NCc4cn(CCN(C)C)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H27F2N9O4S/c1-36(2)8-9-37-16-20(33-35-37)13-31-26(39)23-14-30-25-7-4-17(15-38(23)25)18-10-22(27(42-3)32-12-18)34-43(40,41)24-6-5-19(28)11-21(24)29/h4-7,10-12,14-16,34H,8-9,13H2,1-3H3,(H,31,39)
InChIKeyIODIPXQDZJGDMQ-UHFFFAOYSA-N
XLogP2.57
TPSA148.64 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.64
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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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-(dimethylamino)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-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155540128) is 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(dimethylamino)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-(dimethylamino)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-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ncc(-c2ccc3ncc(C(=O)NCc4cn(CCN(C)C)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-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IODIPXQDZJGDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N9O4S/c1-36(2)8-9-37-16-20(33-35-37)13-31-26(39)23-14-30-25-7-4-17(15-38(23)25)18-10-22(27(42-3)32-12-18)34-43(40,41)24-6-5-19(28)11-21(24)29/h4-7,10-12,14-16,34H,8-9,13H2,1-3H3,(H,31,39).
What are the key properties of 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(dimethylamino)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-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 611.64 g/mol, XLogP of 2.57, 11 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-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155540128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).