8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide

C142H174FN19O4 — CID 161003012

IUPAC8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide
SMILESCCc1cncc2c(C(C)(C)C)cccc12.CNC(=O)c1ccc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.CO[C@@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.CO[C@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.C[C@@H]1CCCN1c1cc2cccc(C(C)(C)C)c2cn1.Cc1c(-c2cc3cccc(C(C)(C)C)c3cn2)cnn1C.Cc1ccc2cc(-c3cnn(C)c3)ncc2c1C(C)(C)C.Cn1cc(-c2cc3ccc(F)c(C(C)(C)C)c3cn2)cn1
InChIInChI=1S/C20H23N3O2.2C18H21N3.2C18H24N2O.C18H24N2.C17H18FN3.C15H19N/c1-20(2,3)16-7-5-6-13-12-23(18(24)10-15(13)16)14-8-9-17(22-11-14)19(25)21-4;1-12-6-7-13-8-16(14-9-20-21(5)11-14)19-10-15(13)17(12)18(2,3)4;1-12-14(11-20-21(12)5)17-9-13-7-6-8-16(18(2,3)4)15(13)10-19-17;2*1-18(2,3)16-7-5-6-13-10-17(19-11-15(13)16)20-9-8-14(12-20)21-4;1-13-7-6-10-20(13)17-11-14-8-5-9-16(18(2,3)4)15(14)12-19-17;1-17(2,3)16-13-9-19-15(12-8-20-21(4)10-12)7-11(13)5-6-14(16)18;1-5-11-9-16-10-13-12(11)7-6-8-14(13)15(2,3)4/h5-9,11H,10,12H2,1-4H3,(H,21,25);2*6-11H,1-5H3;2*5-7,10-11,14H,8-9,12H2,1-4H3;5,8-9,11-13H,6-7,10H2,1-4H3;5-10H,1-4H3;6-10H,5H2,1-4H3/t;;;2*14-;13-;;/m...101../s1
InChIKeyTWDCOMYXXQOCAP-IFKFVLQASA-N
MW2230.08 g/mol
LogP31.51
Rot. Bonds11

About 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide

8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide (PubChem CID 161003012) has the molecular formula C142H174FN19O4 and a molecular weight of 2230.08 g/mol. Its IUPAC name is 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide
PubChem CID161003012
Molecular FormulaC142H174FN19O4
Molecular Weight2230.08 g/mol
Exact Mass2228.40
IUPAC Name8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide
SMILESCCc1cncc2c(C(C)(C)C)cccc12.CNC(=O)c1ccc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.CO[C@@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.CO[C@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.C[C@@H]1CCCN1c1cc2cccc(C(C)(C)C)c2cn1.Cc1c(-c2cc3cccc(C(C)(C)C)c3cn2)cnn1C.Cc1ccc2cc(-c3cnn(C)c3)ncc2c1C(C)(C)C.Cn1cc(-c2cc3ccc(F)c(C(C)(C)C)c3cn2)cn1
InChIInChI=1S/C20H23N3O2.2C18H21N3.2C18H24N2O.C18H24N2.C17H18FN3.C15H19N/c1-20(2,3)16-7-5-6-13-12-23(18(24)10-15(13)16)14-8-9-17(22-11-14)19(25)21-4;1-12-6-7-13-8-16(14-9-20-21(5)11-14)19-10-15(13)17(12)18(2,3)4;1-12-14(11-20-21(12)5)17-9-13-7-6-8-16(18(2,3)4)15(13)10-19-17;2*1-18(2,3)16-7-5-6-13-10-17(19-11-15(13)16)20-9-8-14(12-20)21-4;1-13-7-6-10-20(13)17-11-14-8-5-9-16(18(2,3)4)15(14)12-19-17;1-17(2,3)16-13-9-19-15(12-8-20-21(4)10-12)7-11(13)5-6-14(16)18;1-5-11-9-16-10-13-12(11)7-6-8-14(13)15(2,3)4/h5-9,11H,10,12H2,1-4H3,(H,21,25);2*6-11H,1-5H3;2*5-7,10-11,14H,8-9,12H2,1-4H3;5,8-9,11-13H,6-7,10H2,1-4H3;5-10H,1-4H3;6-10H,5H2,1-4H3/t;;;2*14-;13-;;/m...101../s1
InChIKeyTWDCOMYXXQOCAP-IFKFVLQASA-N
XLogP31.51
TPSA234.17 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002230.08
LogP ≤ 531.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

8-tert-butyl-6-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-methylpropyl]-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline
CID 139382588
8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline
CID 139382641
N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129757
4-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]benzoic acid
CID 163271924
[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate
CID 166758946
1-[2-[3-(3-methoxypyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59541040
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 158383924
2-(2-fluorophenyl)-2-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590209
4-tert-butyl-7-chloro-1H-indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 165075239
5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide
CID 122474382
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 168926334
5-[4-[3-(7-chloro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148762

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide (CID 161003012) is 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide is CCc1cncc2c(C(C)(C)C)cccc12.CNC(=O)c1ccc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.CO[C@@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.CO[C@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.C[C@@H]1CCCN1c1cc2cccc(C(C)(C)C)c2cn1.Cc1c(-c2cc3cccc(C(C)(C)C)c3cn2)cnn1C.Cc1ccc2cc(-c3cnn(C)c3)ncc2c1C(C)(C)C.Cn1cc(-c2cc3ccc(F)c(C(C)(C)C)c3cn2)cn1.
What is the InChIKey of 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is TWDCOMYXXQOCAP-IFKFVLQASA-N. The full InChI is InChI=1S/C20H23N3O2.2C18H21N3.2C18H24N2O.C18H24N2.C17H18FN3.C15H19N/c1-20(2,3)16-7-5-6-13-12-23(18(24)10-15(13)16)14-8-9-17(22-11-14)19(25)21-4;1-12-6-7-13-8-16(14-9-20-21(5)11-14)19-10-15(13)17(12)18(2,3)4;1-12-14(11-20-21(12)5)17-9-13-7-6-8-16(18(2,3)4)15(13)10-19-17;2*1-18(2,3)16-7-5-6-13-10-17(19-11-15(13)16)20-9-8-14(12-20)21-4;1-13-7-6-10-20(13)17-11-14-8-5-9-16(18(2,3)4)15(14)12-19-17;1-17(2,3)16-13-9-19-15(12-8-20-21(4)10-12)7-11(13)5-6-14(16)18;1-5-11-9-16-10-13-12(11)7-6-8-14(13)15(2,3)4/h5-9,11H,10,12H2,1-4H3,(H,21,25);2*6-11H,1-5H3;2*5-7,10-11,14H,8-9,12H2,1-4H3;5,8-9,11-13H,6-7,10H2,1-4H3;5-10H,1-4H3;6-10H,5H2,1-4H3/t;;;2*14-;13-;;/m...101../s1.
What are the key properties of 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide?
8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 2230.08 g/mol, XLogP of 31.51, 11 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)isoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-7-fluoro-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(3R)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-3-[(3S)-3-methoxypyrrolidin-1-yl]isoquinoline;8-tert-butyl-7-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-[(2R)-2-methylpyrrolidin-1-yl]isoquinoline;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 161003012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).