tert-butyl (3R)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride

C86H100Cl2N20O9S2 — CID 157373898

IUPACtert-butyl (3R)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride
SMILESC.CS(=O)(=O)Cl.Cl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCCC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)cn1.[2H]CC
InChIInChI=1S/C30H33N7O3.C26H27N7O3S.C26H26N6O.C2H6.CH3ClO2S.CH4.ClH/c1-30(2,3)40-29(39)36-12-6-7-22(18-36)37-27-23-13-19(8-11-25(23)32-16-26(27)35(5)28(37)38)20-9-10-24(31-14-20)21-15-33-34(4)17-21;1-30-15-19(13-29-30)22-8-7-18(12-27-22)17-6-9-23-21(11-17)25-24(14-28-23)31(2)26(34)33(25)20-5-4-10-32(16-20)37(3,35)36;1-30-16-19(14-29-30)22-10-9-18(13-27-22)17-8-11-23-21(12-17)25-24(15-28-23)31(2)26(33)32(25)20-6-4-3-5-7-20;1-2;1-5(2,3)4;;/h8-11,13-17,22H,6-7,12,18H2,1-5H3;6-9,11-15,20H,4-5,10,16H2,1-3H3;8-16,20H,3-7H2,1-2H3;1-2H3;1H3;1H4;1H/t22-;20-;;;;;/m11...../s1/i;;;1D;;;
InChIKeyUCDXFOAASUBZGB-NFDLARRISA-N
MW1693.92 g/mol
LogP14.99
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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride (PubChem CID 157373898) has the molecular formula C86H100Cl2N20O9S2 and a molecular weight of 1693.92 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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride
PubChem CID157373898
Molecular FormulaC86H100Cl2N20O9S2
Molecular Weight1693.92 g/mol
Exact Mass1691.69
IUPAC Nametert-butyl (3R)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride
SMILESC.CS(=O)(=O)Cl.Cl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCCC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)cn1.[2H]CC
InChIInChI=1S/C30H33N7O3.C26H27N7O3S.C26H26N6O.C2H6.CH3ClO2S.CH4.ClH/c1-30(2,3)40-29(39)36-12-6-7-22(18-36)37-27-23-13-19(8-11-25(23)32-16-26(27)35(5)28(37)38)20-9-10-24(31-14-20)21-15-33-34(4)17-21;1-30-15-19(13-29-30)22-8-7-18(12-27-22)17-6-9-23-21(11-17)25-24(14-28-23)31(2)26(34)33(25)20-5-4-10-32(16-20)37(3,35)36;1-30-16-19(14-29-30)22-10-9-18(13-27-22)17-8-11-23-21(12-17)25-24(15-28-23)31(2)26(33)32(25)20-6-4-3-5-7-20;1-2;1-5(2,3)4;;/h8-11,13-17,22H,6-7,12,18H2,1-5H3;6-9,11-15,20H,4-5,10,16H2,1-3H3;8-16,20H,3-7H2,1-2H3;1-2H3;1H3;1H4;1H/t22-;20-;;;;;/m11...../s1/i;;;1D;;;
InChIKeyUCDXFOAASUBZGB-NFDLARRISA-N
XLogP14.99
TPSA312.65 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds10
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001693.92
LogP ≤ 514.99
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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(methanesulfonyl)piperidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 91799360
(R)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(methanesulfonyl)pyrrolidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101679
3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(methanesulfonyl)pyrrolidin-3-yl)-1H-imidazo[4,5-c]quinolin-2 (3H)-one
CID 118101791
(R)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(methanesulfonyl)piperidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101804
(S)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(methanesulfonyl)pyrrolidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101805
3-Methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[4-(1-methylsulfonylpiperidin-3-yl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 90182382
Tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate
CID 90182409
Tert-butyl 4-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate
CID 90182459
Tert-butyl 4-[4-[3-ethyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate
CID 90182476
3-Methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 90182482
Tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 118101733
3-Methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 118101737

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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride (CID 157373898) is tert-butyl (3R)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride is C.CS(=O)(=O)Cl.Cl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCCC3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)cn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride?
The InChIKey is UCDXFOAASUBZGB-NFDLARRISA-N. The full InChI is InChI=1S/C30H33N7O3.C26H27N7O3S.C26H26N6O.C2H6.CH3ClO2S.CH4.ClH/c1-30(2,3)40-29(39)36-12-6-7-22(18-36)37-27-23-13-19(8-11-25(23)32-16-26(27)35(5)28(37)38)20-9-10-24(31-14-20)21-15-33-34(4)17-21;1-30-15-19(13-29-30)22-8-7-18(12-27-22)17-6-9-23-21(11-17)25-24(14-28-23)31(2)26(34)33(25)20-5-4-10-32(16-20)37(3,35)36;1-30-16-19(14-29-30)22-10-9-18(13-27-22)17-8-11-23-21(12-17)25-24(15-28-23)31(2)26(33)32(25)20-6-4-3-5-7-20;1-2;1-5(2,3)4;;/h8-11,13-17,22H,6-7,12,18H2,1-5H3;6-9,11-15,20H,4-5,10,16H2,1-3H3;8-16,20H,3-7H2,1-2H3;1-2H3;1H3;1H4;1H/t22-;20-;;;;;/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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride has a molecular weight of 1693.92 g/mol, XLogP of 14.99, 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]piperidine-1-carboxylate;1-cyclohexyl-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-methylsulfonylpiperidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride is sourced from PubChem (CID 157373898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).