1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one

C20H28N4O3S — CID 171141968

IUPAC1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one
SMILESO=c1n(CC2CCCCC2)c2cccnc2n1C1CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C20H28N4O3S/c25-20-23(13-15-5-2-1-3-6-15)18-7-4-11-21-19(18)24(20)16-10-12-22(14-16)28(26,27)17-8-9-17/h4,7,11,15-17H,1-3,5-6,8-10,12-14H2
InChIKeyNUAVSDBOAJMKDU-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.52
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one

1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one (PubChem CID 171141968) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one
PubChem CID171141968
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Name1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one
SMILESO=c1n(CC2CCCCC2)c2cccnc2n1C1CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C20H28N4O3S/c25-20-23(13-15-5-2-1-3-6-15)18-7-4-11-21-19(18)24(20)16-10-12-22(14-16)28(26,27)17-8-9-17/h4,7,11,15-17H,1-3,5-6,8-10,12-14H2
InChIKeyNUAVSDBOAJMKDU-UHFFFAOYSA-N
XLogP2.52
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde
CID 58710621
2-[3-[1-(2-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 67334638
2-[3-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 67335423
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141923
2-[2-oxo-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid
CID 45376776
2-[2-oxo-3-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridin-1-yl]acetic acid
CID 45376643
2-[3-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 58380668
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 53159341
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 71841294
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-propan-2-ylacetamide
CID 53159374
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 53159343
carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten
CID 157284445

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one (CID 171141968) is 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one is O=c1n(CC2CCCCC2)c2cccnc2n1C1CCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is NUAVSDBOAJMKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c25-20-23(13-15-5-2-1-3-6-15)18-7-4-11-21-19(18)24(20)16-10-12-22(14-16)28(26,27)17-8-9-17/h4,7,11,15-17H,1-3,5-6,8-10,12-14H2.
What are the key properties of 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one?
1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 404.54 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(1-cyclopropylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 171141968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).