N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide

C24H27N5O4S — CID 155015533

IUPACN-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide
SMILESCCS(=O)(=O)c1cn2cc(N3CC(c4cc(C(=O)NC5CC5)ccc4C)C=N3)nc2cc1OC
InChIInChI=1S/C24H27N5O4S/c1-4-34(31,32)21-13-28-14-23(27-22(28)10-20(21)33-3)29-12-17(11-25-29)19-9-16(6-5-15(19)2)24(30)26-18-7-8-18/h5-6,9-11,13-14,17-18H,4,7-8,12H2,1-3H3,(H,26,30)
InChIKeyAGTGTTKLPKNENC-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.93
Rot. Bonds7

About N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide (PubChem CID 155015533) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide
PubChem CID155015533
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide
SMILESCCS(=O)(=O)c1cn2cc(N3CC(c4cc(C(=O)NC5CC5)ccc4C)C=N3)nc2cc1OC
InChIInChI=1S/C24H27N5O4S/c1-4-34(31,32)21-13-28-14-23(27-22(28)10-20(21)33-3)29-12-17(11-25-29)19-9-16(6-5-15(19)2)24(30)26-18-7-8-18/h5-6,9-11,13-14,17-18H,4,7-8,12H2,1-3H3,(H,26,30)
InChIKeyAGTGTTKLPKNENC-UHFFFAOYSA-N
XLogP2.93
TPSA105.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate
CID 155015554
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108560402
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471
4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 155022118
3-(azepan-1-ylsulfonyl)-N-(4-ethylcyclohexyl)-4-methoxybenzamide
CID 112816421
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide (CID 155015533) is N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide is CCS(=O)(=O)c1cn2cc(N3CC(c4cc(C(=O)NC5CC5)ccc4C)C=N3)nc2cc1OC.
What is the InChIKey of N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide?
The InChIKey is AGTGTTKLPKNENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-4-34(31,32)21-13-28-14-23(27-22(28)10-20(21)33-3)29-12-17(11-25-29)19-9-16(6-5-15(19)2)24(30)26-18-7-8-18/h5-6,9-11,13-14,17-18H,4,7-8,12H2,1-3H3,(H,26,30).
What are the key properties of N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide has a molecular weight of 481.58 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 155015533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).