1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C112H121N25O7S3 — CID 165096735

IUPAC1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3cn(C)c4ccccc34)nn2C)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCN(C(C)=O)CC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCS(=O)CC2)C1
InChIInChI=1S/C29H32N6O2S.C27H29N5O2S2.C21H22N6O.C18H20N4O.C17H18N4O/c1-4-28(37)34-13-10-26-24(17-34)29(32-35(26)21-8-11-33(12-9-21)19(3)36)22-7-5-6-20-14-25(31-15-23(20)22)27-16-30-18(2)38-27;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-36(34)12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-13(28)27-7-6-20-18(12-27)21(24-26(20)3)17-10-22-19-8-14(4-5-16(17)19)15-9-23-25(2)11-15;1-12(23)22-9-8-17-15(11-22)18(19-21(17)3)14-10-20(2)16-7-5-4-6-13(14)16;1-11(22)21-8-7-16-14(10-21)17(19-20(16)2)13-9-18-15-6-4-3-5-12(13)15/h5-7,14-16,21H,4,8-13,17H2,1-3H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;4-5,8-11,22H,6-7,12H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;3-6,9,18H,7-8,10H2,1-2H3
InChIKeyXQGZGULNILOVHI-UHFFFAOYSA-N
MW2025.57 g/mol
LogP17.75
Rot. Bonds12

About 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 165096735) has the molecular formula C112H121N25O7S3 and a molecular weight of 2025.57 g/mol. Its IUPAC name is 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
PubChem CID165096735
Molecular FormulaC112H121N25O7S3
Molecular Weight2025.57 g/mol
Exact Mass2023.90
IUPAC Name1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3cn(C)c4ccccc34)nn2C)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCN(C(C)=O)CC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCS(=O)CC2)C1
InChIInChI=1S/C29H32N6O2S.C27H29N5O2S2.C21H22N6O.C18H20N4O.C17H18N4O/c1-4-28(37)34-13-10-26-24(17-34)29(32-35(26)21-8-11-33(12-9-21)19(3)36)22-7-5-6-20-14-25(31-15-23(20)22)27-16-30-18(2)38-27;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-36(34)12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-13(28)27-7-6-20-18(12-27)21(24-26(20)3)17-10-22-19-8-14(4-5-16(17)19)15-9-23-25(2)11-15;1-12(23)22-9-8-17-15(11-22)18(19-21(17)3)14-10-20(2)16-7-5-4-6-13(14)16;1-11(22)21-8-7-16-14(10-21)17(19-20(16)2)13-9-18-15-6-4-3-5-12(13)15/h5-7,14-16,21H,4,8-13,17H2,1-3H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;4-5,8-11,22H,6-7,12H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;3-6,9,18H,7-8,10H2,1-2H3
InChIKeyXQGZGULNILOVHI-UHFFFAOYSA-N
XLogP17.75
TPSA333.92 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002025.57
LogP ≤ 517.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide;hexakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)
CID 157848471
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-[(1-methylpyrazol-4-yl)methylamino]propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1-phenylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide
CID 158256222
hexakis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one
CID 158436887
butane;4-(2,4-dimethylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;ethane;2-[(1-methylindol-3-yl)methyl]-4-(4-methylphenyl)-1,3-thiazole;2-(4-methylphenyl)-4-(2-propyl-4-pyridinyl)-1,3-thiazole;4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine;4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazole;4-phenylbutan-2-one;4-(5-phenyl-3H-pyrrol-2-yl)-2-propylpyridine
CID 158943938
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide
CID 159214750
hexakis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);bis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)
CID 159220332
pentakis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one;N-[[(2S,4aR,10bR)-7-(methylamino)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-2-yl]methyl]acetamide
CID 159257148
bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);hexakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)
CID 159476663
bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);pentakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)
CID 159715583
1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160407170
6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylpyrazol-4-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(1-methylindazol-6-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine
CID 160667814
N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)
CID 161112142

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 165096735) is 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C)C1.CC(=O)N1CCc2c(c(-c3cn(C)c4ccccc34)nn2C)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCN(C(C)=O)CC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCS(=O)CC2)C1.
What is the InChIKey of 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The InChIKey is XQGZGULNILOVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2S.C27H29N5O2S2.C21H22N6O.C18H20N4O.C17H18N4O/c1-4-28(37)34-13-10-26-24(17-34)29(32-35(26)21-8-11-33(12-9-21)19(3)36)22-7-5-6-20-14-25(31-15-23(20)22)27-16-30-18(2)38-27;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-36(34)12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-13(28)27-7-6-20-18(12-27)21(24-26(20)3)17-10-22-19-8-14(4-5-16(17)19)15-9-23-25(2)11-15;1-12(23)22-9-8-17-15(11-22)18(19-21(17)3)14-10-20(2)16-7-5-4-6-13(14)16;1-11(22)21-8-7-16-14(10-21)17(19-20(16)2)13-9-18-15-6-4-3-5-12(13)15/h5-7,14-16,21H,4,8-13,17H2,1-3H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;4-5,8-11,22H,6-7,12H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;3-6,9,18H,7-8,10H2,1-2H3.
What are the key properties of 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 2025.57 g/mol, XLogP of 17.75, 12 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 165096735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).