2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

C120H112N24O5 — CID 158178994

IUPAC2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N(C)C)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)n1C.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)ncn5C)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(ccn5C)c4)cc3c2)cn1.[2H]c1nc(CC(=O)c2ccnc(N3CCCCC3)c2)cc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/2C25H25N5O.C24H20N4O.C23H19N5O.C23H23N5O/c1-17-27-16-23(29(17)2)18-5-6-20-15-28-22(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-4-10-30;1-29-17-22(16-28-29)18-5-6-20-15-27-23(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-2-4-10-30;1-27-8-7-17-10-18(5-6-23(17)27)24(29)12-22-11-20-9-16(3-4-19(20)13-25-22)21-14-26-28(2)15-21;1-27-14-25-21-9-16(5-6-22(21)27)23(29)10-20-8-18-7-15(3-4-17(18)11-24-20)19-12-26-28(2)13-19;1-15-25-14-21(28(15)4)16-5-6-18-13-26-20(10-19(18)9-16)12-22(29)17-7-8-24-23(11-17)27(2)3/h5-8,11-13,15-16H,3-4,9-10,14H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;3-11,13-15H,12H2,1-2H3;3-9,11-14H,10H2,1-2H3;5-11,13-14H,12H2,1-4H3/i;15D;;;
InChIKeyFYIRCVNGURFIQJ-UJMNFBLDSA-N
MW1971.39 g/mol
LogP21.14
Rot. Bonds23

About 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (PubChem CID 158178994) has the molecular formula C120H112N24O5 and a molecular weight of 1971.39 g/mol. Its IUPAC name is 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
PubChem CID158178994
Molecular FormulaC120H112N24O5
Molecular Weight1971.39 g/mol
Exact Mass1969.93
IUPAC Name2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N(C)C)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)n1C.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)ncn5C)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(ccn5C)c4)cc3c2)cn1.[2H]c1nc(CC(=O)c2ccnc(N3CCCCC3)c2)cc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/2C25H25N5O.C24H20N4O.C23H19N5O.C23H23N5O/c1-17-27-16-23(29(17)2)18-5-6-20-15-28-22(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-4-10-30;1-29-17-22(16-28-29)18-5-6-20-15-27-23(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-2-4-10-30;1-27-8-7-17-10-18(5-6-23(17)27)24(29)12-22-11-20-9-16(3-4-19(20)13-25-22)21-14-26-28(2)15-21;1-27-14-25-21-9-16(5-6-22(21)27)23(29)10-20-8-18-7-15(3-4-17(18)11-24-20)19-12-26-28(2)13-19;1-15-25-14-21(28(15)4)16-5-6-18-13-26-20(10-19(18)9-16)12-22(29)17-7-8-24-23(11-17)27(2)3/h5-8,11-13,15-16H,3-4,9-10,14H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;3-11,13-15H,12H2,1-2H3;3-9,11-14H,10H2,1-2H3;5-11,13-14H,12H2,1-4H3/i;15D;;;
InChIKeyFYIRCVNGURFIQJ-UJMNFBLDSA-N
XLogP21.14
TPSA310.04 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001971.39
LogP ≤ 521.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone with MolForge

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Related Compounds

5-[1-[5-[3-carbamoyl-1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-3-yl]pyridazin-1-ium-4-yl]-1-[2-[4-fluoro-2-[[2-(5-methyl-3-oxopyrazolidin-1-yl)-3-pyridinyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 123927541
5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
CID 132181501
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
2-[7-(difluoromethyl)-3-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 155427296
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
CID 156515673
(2S)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
CID 156515908
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 156516239
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157053327
N-[(1S)-1-[3-(3-acetamido-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,7-dihydrocyclopenta[b]pyridin-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157155378
6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157227174
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
CID 157259556

Frequently Asked Questions

What is the IUPAC name of 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (CID 158178994) is 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N(C)C)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)n1C.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)ncn5C)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(ccn5C)c4)cc3c2)cn1.[2H]c1nc(CC(=O)c2ccnc(N3CCCCC3)c2)cc2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The InChIKey is FYIRCVNGURFIQJ-UJMNFBLDSA-N. The full InChI is InChI=1S/2C25H25N5O.C24H20N4O.C23H19N5O.C23H23N5O/c1-17-27-16-23(29(17)2)18-5-6-20-15-28-22(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-4-10-30;1-29-17-22(16-28-29)18-5-6-20-15-27-23(12-21(20)11-18)14-24(31)19-7-8-26-25(13-19)30-9-3-2-4-10-30;1-27-8-7-17-10-18(5-6-23(17)27)24(29)12-22-11-20-9-16(3-4-19(20)13-25-22)21-14-26-28(2)15-21;1-27-14-25-21-9-16(5-6-22(21)27)23(29)10-20-8-18-7-15(3-4-17(18)11-24-20)19-12-26-28(2)13-19;1-15-25-14-21(28(15)4)16-5-6-18-13-26-20(10-19(18)9-16)12-22(29)17-7-8-24-23(11-17)27(2)3/h5-8,11-13,15-16H,3-4,9-10,14H2,1-2H3;5-8,11-13,15-17H,2-4,9-10,14H2,1H3;3-11,13-15H,12H2,1-2H3;3-9,11-14H,10H2,1-2H3;5-11,13-14H,12H2,1-4H3/i;15D;;;.
What are the key properties of 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone has a molecular weight of 1971.39 g/mol, XLogP of 21.14, 23 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;1-[2-(dimethylamino)-4-pyridinyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;1-(1-methylbenzimidazol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 158178994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).