N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C25H31N5O4S — CID 55603851

IUPACN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C25H31N5O4S/c1-18(2)24-20(17-27-30(24)23-10-6-7-13-26-23)25(31)28-21-16-19(11-12-22(21)34-3)35(32,33)29-14-8-4-5-9-15-29/h6-7,10-13,16-18H,4-5,8-9,14-15H2,1-3H3,(H,28,31)
InChIKeyYOUDECHWSDEYHD-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.22
Rot. Bonds7

About N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55603851) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55603851
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C25H31N5O4S/c1-18(2)24-20(17-27-30(24)23-10-6-7-13-26-23)25(31)28-21-16-19(11-12-22(21)34-3)35(32,33)29-14-8-4-5-9-15-29/h6-7,10-13,16-18H,4-5,8-9,14-15H2,1-3H3,(H,28,31)
InChIKeyYOUDECHWSDEYHD-UHFFFAOYSA-N
XLogP4.22
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 55604073
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426792
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 166322667
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxyphenyl)-2-(methylamino)-5-piperidin-1-ylsulfonylbenzamide
CID 146301697
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 51127906

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55603851) is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cnn(-c2ccccn2)c1C(C)C.
What is the InChIKey of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is YOUDECHWSDEYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-18(2)24-20(17-27-30(24)23-10-6-7-13-26-23)25(31)28-21-16-19(11-12-22(21)34-3)35(32,33)29-14-8-4-5-9-15-29/h6-7,10-13,16-18H,4-5,8-9,14-15H2,1-3H3,(H,28,31).
What are the key properties of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55603851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).