1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C84H96F4N18O6 — CID 160858526

IUPAC1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C28H28F2N8O.C28H33F2N5O2.C28H35N5O3/c1-32-27(39)37-10-11-38-23(16-37)25(35-26(38)17-6-8-28(29,30)9-7-17)20-4-3-5-22-21(20)12-18(13-31)24(34-22)19-14-33-36(2)15-19;1-31-27(36)34-11-12-35-24(17-34)25(33-26(35)19-5-9-28(29,30)10-6-19)21-4-2-3-20-15-23(32-16-22(20)21)18-7-13-37-14-8-18;1-18-3-4-21-15-23(19-5-11-35-12-6-19)30-16-22(21)25(18)26-24-17-32(28(34)29-2)9-10-33(24)27(31-26)20-7-13-36-14-8-20/h3-5,12,14-15,17H,6-11,16H2,1-2H3,(H,32,39);2-4,15-16,18-19H,5-14,17H2,1H3,(H,31,36);3-4,15-16,19-20H,5-14,17H2,1-2H3,(H,29,34)
InChIKeySKEJBSGJNMPHSW-UHFFFAOYSA-N
MW1529.80 g/mol
LogP14.61
Rot. Bonds9

About 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 160858526) has the molecular formula C84H96F4N18O6 and a molecular weight of 1529.80 g/mol. Its IUPAC name is 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID160858526
Molecular FormulaC84H96F4N18O6
Molecular Weight1529.80 g/mol
Exact Mass1528.77
IUPAC Name1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C28H28F2N8O.C28H33F2N5O2.C28H35N5O3/c1-32-27(39)37-10-11-38-23(16-37)25(35-26(38)17-6-8-28(29,30)9-7-17)20-4-3-5-22-21(20)12-18(13-31)24(34-22)19-14-33-36(2)15-19;1-31-27(36)34-11-12-35-24(17-34)25(33-26(35)19-5-9-28(29,30)10-6-19)21-4-2-3-20-15-23(32-16-22(20)21)18-7-13-37-14-8-18;1-18-3-4-21-15-23(19-5-11-35-12-6-19)30-16-22(21)25(18)26-24-17-32(28(34)29-2)9-10-33(24)27(31-26)20-7-13-36-14-8-20/h3-5,12,14-15,17H,6-11,16H2,1-2H3,(H,32,39);2-4,15-16,18-19H,5-14,17H2,1H3,(H,31,36);3-4,15-16,19-20H,5-14,17H2,1-2H3,(H,29,34)
InChIKeySKEJBSGJNMPHSW-UHFFFAOYSA-N
XLogP14.61
TPSA258.45 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001529.80
LogP ≤ 514.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

US11058688, Example 65
CID 139530472
US11058688, Example 82
CID 139530511
US11058688, Example 64
CID 139530323
1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530403
1-[3-cyano-6-[2-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]-2-morpholin-4-ylquinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139556021
2-[(2S)-4-[7-[3-[(5S)-5-[[4-[(3S)-3-(cyanomethyl)-4-[(E)-4,4-difluorobut-2-enoyl]piperazin-1-yl]-7-[3-[(5S)-5-[[4-[(3S)-3-(cyanomethyl)-4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]-8-methylnaphthalen-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]naphthalen-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-2-yl]acetonitrile
CID 146478468
8-[4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-4-[4-[4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-4-[4-[4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-5-methylnaphthalen-1-yl]-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-5,6-dimethylindol-1-yl]-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalene-1-carbonitrile
CID 146531038
2-[(2S)-4-[2-[[(2S)-4-[4-[4-[(3S)-3-(cyanomethyl)-4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-5-methylnaphthalen-2-yl]-1-methylpyrrolidin-2-yl]methoxy]-7-[3-[(5S)-5-[[4-[(3S)-3-(cyanomethyl)-4-[2-(trifluoromethyl)prop-2-enoyl]piperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]-8-methylnaphthalen-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-2-yl]acetonitrile
CID 146609763
2-[(2S)-4-[2-[[(2S)-4-[4-[4-[(3S)-3-(cyanomethyl)-4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-5-methylnaphthalen-1-yl]-1-methylpyrrolidin-2-yl]methoxy]-7-[3-[(5S)-5-[[4-[(3S)-3-(cyanomethyl)-4-[2-(trifluoromethyl)prop-2-enoyl]piperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]-8-methylnaphthalen-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-2-yl]acetonitrile
CID 146672037
5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
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9-(6-amino-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 160858526) is 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(C5CCOCC5)ncc34)c2C1.
What is the InChIKey of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is SKEJBSGJNMPHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N8O.C28H33F2N5O2.C28H35N5O3/c1-32-27(39)37-10-11-38-23(16-37)25(35-26(38)17-6-8-28(29,30)9-7-17)20-4-3-5-22-21(20)12-18(13-31)24(34-22)19-14-33-36(2)15-19;1-31-27(36)34-11-12-35-24(17-34)25(33-26(35)19-5-9-28(29,30)10-6-19)21-4-2-3-20-15-23(32-16-22(20)21)18-7-13-37-14-8-18;1-18-3-4-21-15-23(19-5-11-35-12-6-19)30-16-22(21)25(18)26-24-17-32(28(34)29-2)9-10-33(24)27(31-26)20-7-13-36-14-8-20/h3-5,12,14-15,17H,6-11,16H2,1-2H3,(H,32,39);2-4,15-16,18-19H,5-14,17H2,1H3,(H,31,36);3-4,15-16,19-20H,5-14,17H2,1-2H3,(H,29,34).
What are the key properties of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 1529.80 g/mol, XLogP of 14.61, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 160858526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).