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

C83H94Cl2N20O9S2 — CID 159241203

IUPACtert-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
SMILESC.CS(=O)(=O)Cl.Cl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)cn1.[2H]CC
InChIInChI=1S/C29H31N7O3.C25H25N7O3S.C25H24N6O.C2H6.CH3ClO2S.CH4.ClH/c1-29(2,3)39-28(38)35-11-10-21(17-35)36-26-22-12-18(6-9-24(22)31-15-25(26)34(5)27(36)37)19-7-8-23(30-13-19)20-14-32-33(4)16-20;1-29-14-18(12-28-29)21-6-5-17(11-26-21)16-4-7-22-20(10-16)24-23(13-27-22)30(2)25(33)32(24)19-8-9-31(15-19)36(3,34)35;1-29-15-18(13-28-29)21-9-8-17(12-26-21)16-7-10-22-20(11-16)24-23(14-27-22)30(2)25(32)31(24)19-5-3-4-6-19;1-2;1-5(2,3)4;;/h6-9,12-16,21H,10-11,17H2,1-5H3;4-7,10-14,19H,8-9,15H2,1-3H3;7-15,19H,3-6H2,1-2H3;1-2H3;1H3;1H4;1H/t21-;19-;;;;;/m11...../s1/i;;;1D;;;
InChIKeyYDLHYKLNNRHCRT-ZKPLEOEGSA-N
MW1651.84 g/mol
LogP13.82
Rot. Bonds10

About 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

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 (PubChem CID 159241203) has the molecular formula C83H94Cl2N20O9S2 and a molecular weight of 1651.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID159241203
Molecular FormulaC83H94Cl2N20O9S2
Molecular Weight1651.84 g/mol
Exact Mass1649.64
IUPAC Nametert-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
SMILESC.CS(=O)(=O)Cl.Cl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)cn1.[2H]CC
InChIInChI=1S/C29H31N7O3.C25H25N7O3S.C25H24N6O.C2H6.CH3ClO2S.CH4.ClH/c1-29(2,3)39-28(38)35-11-10-21(17-35)36-26-22-12-18(6-9-24(22)31-15-25(26)34(5)27(36)37)19-7-8-23(30-13-19)20-14-32-33(4)16-20;1-29-14-18(12-28-29)21-6-5-17(11-26-21)16-4-7-22-20(10-16)24-23(13-27-22)30(2)25(33)32(24)19-8-9-31(15-19)36(3,34)35;1-29-15-18(13-28-29)21-9-8-17(12-26-21)16-7-10-22-20(11-16)24-23(14-27-22)30(2)25(32)31(24)19-5-3-4-6-19;1-2;1-5(2,3)4;;/h6-9,12-16,21H,10-11,17H2,1-5H3;4-7,10-14,19H,8-9,15H2,1-3H3;7-15,19H,3-6H2,1-2H3;1-2H3;1H3;1H4;1H/t21-;19-;;;;;/m11...../s1/i;;;1D;;;
InChIKeyYDLHYKLNNRHCRT-ZKPLEOEGSA-N
XLogP13.82
TPSA312.65 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001651.84
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101795
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
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
3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101775
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-pyrrolidin-3-ylimidazo[4,5-c]quinolin-2-one
CID 118101793
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-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 118101881
tert-butyl 3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 118101778
tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate;methane
CID 162087529
N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate
CID 144847108
tert-butyl (3S)-3-(8-bromo-3-ethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate
CID 144847127

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CS(=O)(=O)Cl.Cl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)cn1.[2H]CC.
What is the InChIKey of 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?
The InChIKey is YDLHYKLNNRHCRT-ZKPLEOEGSA-N. The full InChI is InChI=1S/C29H31N7O3.C25H25N7O3S.C25H24N6O.C2H6.CH3ClO2S.CH4.ClH/c1-29(2,3)39-28(38)35-11-10-21(17-35)36-26-22-12-18(6-9-24(22)31-15-25(26)34(5)27(36)37)19-7-8-23(30-13-19)20-14-32-33(4)16-20;1-29-14-18(12-28-29)21-6-5-17(11-26-21)16-4-7-22-20(10-16)24-23(13-27-22)30(2)25(33)32(24)19-8-9-31(15-19)36(3,34)35;1-29-15-18(13-28-29)21-9-8-17(12-26-21)16-7-10-22-20(11-16)24-23(14-27-22)30(2)25(32)31(24)19-5-3-4-6-19;1-2;1-5(2,3)4;;/h6-9,12-16,21H,10-11,17H2,1-5H3;4-7,10-14,19H,8-9,15H2,1-3H3;7-15,19H,3-6H2,1-2H3;1-2H3;1H3;1H4;1H/t21-;19-;;;;;/m11...../s1/i;;;1D;;;.
What are the key properties of 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?
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 has a molecular weight of 1651.84 g/mol, XLogP of 13.82, 10 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159241203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).