1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate

C129H143FN30O7 — CID 159403822

IUPAC1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.CC(C)OC(=O)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.CCN1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C6CC6)CC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(CCF)CC5)c4)cc3c2)cn1
InChIInChI=1S/C27H30N6O3.C26H28N6O.C26H30N6O.C25H27FN6O.C25H28N6O/c1-18(2)36-27(35)32-8-6-25(7-9-32)33-17-23(15-30-33)26(34)12-24-11-21-10-19(4-5-20(21)13-28-24)22-14-29-31(3)16-22;1-30-16-21(14-28-30)18-2-3-19-13-27-23(11-20(19)10-18)12-26(33)22-15-29-32(17-22)25-6-8-31(9-7-25)24-4-5-24;1-18(2)31-8-6-25(7-9-31)32-17-23(15-29-32)26(33)12-24-11-21-10-19(4-5-20(21)13-27-24)22-14-28-30(3)16-22;1-30-16-21(14-28-30)18-2-3-19-13-27-23(11-20(19)10-18)12-25(33)22-15-29-32(17-22)24-4-7-31(8-5-24)9-6-26;1-3-30-8-6-24(7-9-30)31-17-22(15-28-31)25(32)12-23-11-20-10-18(4-5-19(20)13-26-23)21-14-27-29(2)16-21/h4-5,10-11,13-18,25H,6-9,12H2,1-3H3;2-3,10-11,13-17,24-25H,4-9,12H2,1H3;4-5,10-11,13-18,25H,6-9,12H2,1-3H3;2-3,10-11,13-17,24H,4-9,12H2,1H3;4-5,10-11,13-17,24H,3,6-9,12H2,1-2H3
InChIKeyLNRSBTDATMUMFP-UHFFFAOYSA-N
MW2244.76 g/mol
LogP20.58
Rot. Bonds31

About 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate

1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 159403822) has the molecular formula C129H143FN30O7 and a molecular weight of 2244.76 g/mol. Its IUPAC name is 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID159403822
Molecular FormulaC129H143FN30O7
Molecular Weight2244.76 g/mol
Exact Mass2243.17
IUPAC Name1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.CC(C)OC(=O)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.CCN1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C6CC6)CC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(CCF)CC5)c4)cc3c2)cn1
InChIInChI=1S/C27H30N6O3.C26H28N6O.C26H30N6O.C25H27FN6O.C25H28N6O/c1-18(2)36-27(35)32-8-6-25(7-9-32)33-17-23(15-30-33)26(34)12-24-11-21-10-19(4-5-20(21)13-28-24)22-14-29-31(3)16-22;1-30-16-21(14-28-30)18-2-3-19-13-27-23(11-20(19)10-18)12-26(33)22-15-29-32(17-22)25-6-8-31(9-7-25)24-4-5-24;1-18(2)31-8-6-25(7-9-31)32-17-23(15-29-32)26(33)12-24-11-21-10-19(4-5-20(21)13-27-24)22-14-28-30(3)16-22;1-30-16-21(14-28-30)18-2-3-19-13-27-23(11-20(19)10-18)12-25(33)22-15-29-32(17-22)24-4-7-31(8-5-24)9-6-26;1-3-30-8-6-24(7-9-30)31-17-22(15-28-31)25(32)12-23-11-20-10-18(4-5-19(20)13-26-23)21-14-27-29(2)16-21/h4-5,10-11,13-18,25H,6-9,12H2,1-3H3;2-3,10-11,13-17,24-25H,4-9,12H2,1H3;4-5,10-11,13-18,25H,6-9,12H2,1-3H3;2-3,10-11,13-17,24H,4-9,12H2,1H3;4-5,10-11,13-17,24H,3,6-9,12H2,1-2H3
InChIKeyLNRSBTDATMUMFP-UHFFFAOYSA-N
XLogP20.58
TPSA370.50 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.76
LogP ≤ 520.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 157467989
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 158345019
6-[(3R)-1-benzyl-5,5-difluoropiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S)-1-benzyl-5,5-difluoropiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(1-cyclohexylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(cyclohexylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;bis(3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one)
CID 159811188
2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 160125269
2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 160133504
2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;bis(2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one);2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 161538328
2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one
CID 161868280
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-4-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-6-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-2-ylpyrazole-4-carboxamide
CID 157846606
1-(1-cyclobutylpyrrolidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-ethylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[(2S)-oxolan-2-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]ethanone
CID 158045262
1-(1-Cyclobutylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-fluorocyclobutyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)azetidin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone
CID 158158516
1-[1-(1-Ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propylpiperidin-4-yl)triazol-4-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
CID 158214707
Bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)
CID 158308304

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate (CID 159403822) is 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate is CC(C)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.CC(C)OC(=O)N1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.CCN1CCC(n2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C6CC6)CC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(CCF)CC5)c4)cc3c2)cn1.
What is the InChIKey of 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is LNRSBTDATMUMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3.C26H28N6O.C26H30N6O.C25H27FN6O.C25H28N6O/c1-18(2)36-27(35)32-8-6-25(7-9-32)33-17-23(15-30-33)26(34)12-24-11-21-10-19(4-5-20(21)13-28-24)22-14-29-31(3)16-22;1-30-16-21(14-28-30)18-2-3-19-13-27-23(11-20(19)10-18)12-26(33)22-15-29-32(17-22)25-6-8-31(9-7-25)24-4-5-24;1-18(2)31-8-6-25(7-9-31)32-17-23(15-29-32)26(33)12-24-11-21-10-19(4-5-20(21)13-27-24)22-14-28-30(3)16-22;1-30-16-21(14-28-30)18-2-3-19-13-27-23(11-20(19)10-18)12-25(33)22-15-29-32(17-22)24-4-7-31(8-5-24)9-6-26;1-3-30-8-6-24(7-9-30)31-17-22(15-28-31)25(32)12-23-11-20-10-18(4-5-19(20)13-26-23)21-14-27-29(2)16-21/h4-5,10-11,13-18,25H,6-9,12H2,1-3H3;2-3,10-11,13-17,24-25H,4-9,12H2,1H3;4-5,10-11,13-18,25H,6-9,12H2,1-3H3;2-3,10-11,13-17,24H,4-9,12H2,1H3;4-5,10-11,13-17,24H,3,6-9,12H2,1-2H3.
What are the key properties of 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate?
1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 2244.76 g/mol, XLogP of 20.58, 31 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159403822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).