3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one

C24H23N7O3S — CID 118101881

IUPAC3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n([C@H]2CCN(S(C)(=O)=O)C2)c2c3cc(-c4ccc(-n5cccn5)nc4)ccc3ncc21
InChIInChI=1S/C24H23N7O3S/c1-28-21-14-25-20-6-4-16(17-5-7-22(26-13-17)30-10-3-9-27-30)12-19(20)23(21)31(24(28)32)18-8-11-29(15-18)35(2,33)34/h3-7,9-10,12-14,18H,8,11,15H2,1-2H3/t18-/m0/s1
InChIKeyHHVRGSZZXUCNQT-SFHVURJKSA-N
MW489.56 g/mol
LogP2.34
Rot. Bonds4

About 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one

3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 118101881) has the molecular formula C24H23N7O3S and a molecular weight of 489.56 g/mol. Its IUPAC name is 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
PubChem CID118101881
Molecular FormulaC24H23N7O3S
Molecular Weight489.56 g/mol
Exact Mass489.16
IUPAC Name3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n([C@H]2CCN(S(C)(=O)=O)C2)c2c3cc(-c4ccc(-n5cccn5)nc4)ccc3ncc21
InChIInChI=1S/C24H23N7O3S/c1-28-21-14-25-20-6-4-16(17-5-7-22(26-13-17)30-10-3-9-27-30)12-19(20)23(21)31(24(28)32)18-8-11-29(15-18)35(2,33)34/h3-7,9-10,12-14,18H,8,11,15H2,1-2H3/t18-/m0/s1
InChIKeyHHVRGSZZXUCNQT-SFHVURJKSA-N
XLogP2.34
TPSA107.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101820
3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101775
methanesulfonyl chloride;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-c]quinolin-2-one;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one
CID 160621444
3-methyl-1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101862
tert-butyl (3R)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]pyrrolidine-1-carboxylate;1-cyclopentyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;deuterioethane;methane;methanesulfonyl chloride;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride
CID 159241203
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129120531
1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101795
8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104514
1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101866
7-methyl-9-(1-methylsulfonylpyrrolidin-3-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
CID 67123815
8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104397
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-pyrrolidin-3-ylimidazo[4,5-c]quinolin-2-one
CID 118101793

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (CID 118101881) is 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n([C@H]2CCN(S(C)(=O)=O)C2)c2c3cc(-c4ccc(-n5cccn5)nc4)ccc3ncc21.
What is the InChIKey of 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is HHVRGSZZXUCNQT-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23N7O3S/c1-28-21-14-25-20-6-4-16(17-5-7-22(26-13-17)30-10-3-9-27-30)12-19(20)23(21)31(24(28)32)18-8-11-29(15-18)35(2,33)34/h3-7,9-10,12-14,18H,8,11,15H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 489.56 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).