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

C29H22F2N8O5S — CID 155546945

IUPAC6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3ncc(C(=O)NCc4cn(-c5ccccc5O)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C29H22F2N8O5S/c1-44-29-22(36-45(42,43)26-8-7-19(30)11-21(26)31)10-18(12-34-29)17-6-9-27-32-14-24(38(27)15-17)28(41)33-13-20-16-39(37-35-20)23-4-2-3-5-25(23)40/h2-12,14-16,36,40H,13H2,1H3,(H,33,41)
InChIKeyLECLUWZFVXEHFO-UHFFFAOYSA-N
MW632.61 g/mol
LogP3.70
Rot. Bonds9

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

6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155546945) has the molecular formula C29H22F2N8O5S and a molecular weight of 632.61 g/mol. Its IUPAC name is 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-hydroxyphenyl)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-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155546945
Molecular FormulaC29H22F2N8O5S
Molecular Weight632.61 g/mol
Exact Mass632.14
IUPAC Name6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3ncc(C(=O)NCc4cn(-c5ccccc5O)nn4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C29H22F2N8O5S/c1-44-29-22(36-45(42,43)26-8-7-19(30)11-21(26)31)10-18(12-34-29)17-6-9-27-32-14-24(38(27)15-17)28(41)33-13-20-16-39(37-35-20)23-4-2-3-5-25(23)40/h2-12,14-16,36,40H,13H2,1H3,(H,33,41)
InChIKeyLECLUWZFVXEHFO-UHFFFAOYSA-N
XLogP3.70
TPSA165.63 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.61
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155546945) is 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ncc(-c2ccc3ncc(C(=O)NCc4cn(-c5ccccc5O)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-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LECLUWZFVXEHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2N8O5S/c1-44-29-22(36-45(42,43)26-8-7-19(30)11-21(26)31)10-18(12-34-29)17-6-9-27-32-14-24(38(27)15-17)28(41)33-13-20-16-39(37-35-20)23-4-2-3-5-25(23)40/h2-12,14-16,36,40H,13H2,1H3,(H,33,41).
What are the key properties of 6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-(2-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 632.61 g/mol, XLogP of 3.70, 9 rotatable bonds, 3 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-hydroxyphenyl)triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155546945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).