N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide

C24H22N4O4S — CID 130431488

IUPACN-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)cc1)c1cc2ccccn2n1
InChIInChI=1S/C24H22N4O4S/c29-24(22-14-20-3-1-2-11-28(20)27-22)25-15-17-4-6-18(7-5-17)16-26-33(30,31)21-8-9-23-19(13-21)10-12-32-23/h1-9,11,13-14,26H,10,12,15-16H2,(H,25,29)
InChIKeyPUEWUJLOMPBFQL-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.68
Rot. Bonds7

About N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide

N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 130431488) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID130431488
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)cc1)c1cc2ccccn2n1
InChIInChI=1S/C24H22N4O4S/c29-24(22-14-20-3-1-2-11-28(20)27-22)25-15-17-4-6-18(7-5-17)16-26-33(30,31)21-8-9-23-19(13-21)10-12-32-23/h1-9,11,13-14,26H,10,12,15-16H2,(H,25,29)
InChIKeyPUEWUJLOMPBFQL-UHFFFAOYSA-N
XLogP2.68
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide with MolForge

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Related Compounds

3-Ethyl-5-(5-((4-ethylpiperazin-1-yl)sulfonyl)-2-propoxyphenyl)-2-(pyridin-2-ylmethyl)-2,6-dihydro-7H-pyrazolo(4,3-d)pyrimidin-7-one
CID 135430996
2-[3-[4-[1-(Benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide
CID 71151588
4-(2-cyclohexyloxy-5-ethylsulfonylphenyl)-6-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 86582295
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 130431441
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 130431456
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 130431489
4-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
CID 136180333
4-methylbenzenesulfonate;N-(4-spiro[1,4-diazinan-4-ium-4,4'-2,3-dihydro-1,4-benzoxazin-4-ium]-1-ylbutyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137636581
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390967
N-[1-(1-benzofuran-5-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 68374354
US10626112, Example 212
CID 122685616
US10626112, Example 396
CID 122685636

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 130431488) is N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)cc1)c1cc2ccccn2n1.
What is the InChIKey of N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is PUEWUJLOMPBFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c29-24(22-14-20-3-1-2-11-28(20)27-22)25-15-17-4-6-18(7-5-17)16-26-33(30,31)21-8-9-23-19(13-21)10-12-32-23/h1-9,11,13-14,26H,10,12,15-16H2,(H,25,29).
What are the key properties of N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 130431488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).