8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one

C120H102N18O6 — CID 158705040

IUPAC8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one
SMILESCOc1ccc(-c2cccc3cc([C@H](C)Cc4nccc5cccnc45)n(-c4ccccc4)c(=O)c23)cn1.COc1cncc(-c2cccc3cc([C@H](C)Cc4nccc5cccnc45)n(-c4ccccc4)c(=O)c23)c1.C[C@H](Cc1nccc2cccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C.Cc1nn(C)cc1-c1cccc2cc([C@H](C)Cc3nccc4cccnc34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/2C32H26N4O2.C31H27N5O.C25H23N5O/c1-21(18-27-31-22(15-17-33-27)9-7-16-34-31)28-19-23-8-6-12-26(24-13-14-29(38-2)35-20-24)30(23)32(37)36(28)25-10-4-3-5-11-25;1-21(16-28-31-22(13-15-34-28)9-7-14-35-31)29-18-23-8-6-12-27(24-17-26(38-2)20-33-19-24)30(23)32(37)36(29)25-10-4-3-5-11-25;1-20(17-27-30-22(14-16-32-27)10-8-15-33-30)28-18-23-9-7-13-25(26-19-35(3)34-21(26)2)29(23)31(37)36(28)24-11-5-4-6-12-24;1-16(12-21-24-17(9-11-26-21)7-5-10-27-24)22-13-18-6-4-8-20(19-14-28-29(2)15-19)23(18)25(31)30(22)3/h3-17,19-21H,18H2,1-2H3;3-15,17-21H,16H2,1-2H3;4-16,18-20H,17H2,1-3H3;4-11,13-16H,12H2,1-3H3/t2*21-;20-;16-/m1111/s1
InChIKeyIHZWRPCTIHWVOL-UYUUOEQESA-N
MW1892.26 g/mol
LogP22.92
Rot. Bonds21

About 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one

8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one (PubChem CID 158705040) has the molecular formula C120H102N18O6 and a molecular weight of 1892.26 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one.

Molecular Properties

Compound Name8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one
PubChem CID158705040
Molecular FormulaC120H102N18O6
Molecular Weight1892.26 g/mol
Exact Mass1890.82
IUPAC Name8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one
SMILESCOc1ccc(-c2cccc3cc([C@H](C)Cc4nccc5cccnc45)n(-c4ccccc4)c(=O)c23)cn1.COc1cncc(-c2cccc3cc([C@H](C)Cc4nccc5cccnc45)n(-c4ccccc4)c(=O)c23)c1.C[C@H](Cc1nccc2cccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C.Cc1nn(C)cc1-c1cccc2cc([C@H](C)Cc3nccc4cccnc34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/2C32H26N4O2.C31H27N5O.C25H23N5O/c1-21(18-27-31-22(15-17-33-27)9-7-16-34-31)28-19-23-8-6-12-26(24-13-14-29(38-2)35-20-24)30(23)32(37)36(28)25-10-4-3-5-11-25;1-21(16-28-31-22(13-15-34-28)9-7-14-35-31)29-18-23-8-6-12-27(24-17-26(38-2)20-33-19-24)30(23)32(37)36(29)25-10-4-3-5-11-25;1-20(17-27-30-22(14-16-32-27)10-8-15-33-30)28-18-23-9-7-13-25(26-19-35(3)34-21(26)2)29(23)31(37)36(28)24-11-5-4-6-12-24;1-16(12-21-24-17(9-11-26-21)7-5-10-27-24)22-13-18-6-4-8-20(19-14-28-29(2)15-19)23(18)25(31)30(22)3/h3-17,19-21H,18H2,1-2H3;3-15,17-21H,16H2,1-2H3;4-16,18-20H,17H2,1-3H3;4-11,13-16H,12H2,1-3H3/t2*21-;20-;16-/m1111/s1
InChIKeyIHZWRPCTIHWVOL-UYUUOEQESA-N
XLogP22.92
TPSA271.00 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.26
LogP ≤ 522.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one with MolForge

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Related Compounds

[(7S)-3-[5-(difluoromethoxy)pyridin-3-yl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146457201
[3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146515657
1-[7-ethyl-3-[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 158089407
US20250179047, Example 205
CID 169157287
5-[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(3-methoxyquinolin-5-yl)-3,4-dihydroisoquinolin-1-one
CID 175792419
2-(3-Methoxy-2-methylquinolin-5-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 175792442
(2R)-3-[1-(difluoromethyl)pyrazol-4-yl]-2-[8-fluoro-5-(3-fluoro-6-methoxy-1-methylpyrazolo[4,3-b]pyridin-5-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-[2-methyl-1-[5-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]propanamide
CID 178265513
(2R)-2-[5-[6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl]-8-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-1-[5-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]propanamide
CID 178265697
22,22,57,57-Tetrakis(4-tert-butylphenyl)-17,27,52,62-tetraoxa-9,10,11,33,46,68,69,70-octaza-5,74-diazoniatridecacyclo[72.2.2.22,5.218,21.223,26.253,56.258,61.18,11.133,41.138,46.168,71.035,40.039,44]dononaconta-1(77),2(92),3,5(91),8(90),9,18,20,23,25,35,37,39(44),40,42,53(83),54,56(82),58(81),59,61(80),69,71(79),74(78),75,86,88-heptacosaene-34,45,84,85-tetrone
CID 102475031
5-benzyloxy-N-({1-[(5-(benzyloxy)pyridin-2-yl)methyl]pyrazol-4-yl}methyl)-N-(6-isopropylpyridin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597215
N-[[1-[(5-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597309
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(2-methylphenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;N-[(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)methyl]-5-(3-hydroxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;ethane
CID 143760598

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one?
The IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one (CID 158705040) is 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one.
What is the SMILES notation for 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one?
The canonical SMILES for 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one is COc1ccc(-c2cccc3cc([C@H](C)Cc4nccc5cccnc45)n(-c4ccccc4)c(=O)c23)cn1.COc1cncc(-c2cccc3cc([C@H](C)Cc4nccc5cccnc45)n(-c4ccccc4)c(=O)c23)c1.C[C@H](Cc1nccc2cccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C.Cc1nn(C)cc1-c1cccc2cc([C@H](C)Cc3nccc4cccnc34)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one?
The InChIKey is IHZWRPCTIHWVOL-UYUUOEQESA-N. The full InChI is InChI=1S/2C32H26N4O2.C31H27N5O.C25H23N5O/c1-21(18-27-31-22(15-17-33-27)9-7-16-34-31)28-19-23-8-6-12-26(24-13-14-29(38-2)35-20-24)30(23)32(37)36(28)25-10-4-3-5-11-25;1-21(16-28-31-22(13-15-34-28)9-7-14-35-31)29-18-23-8-6-12-27(24-17-26(38-2)20-33-19-24)30(23)32(37)36(29)25-10-4-3-5-11-25;1-20(17-27-30-22(14-16-32-27)10-8-15-33-30)28-18-23-9-7-13-25(26-19-35(3)34-21(26)2)29(23)31(37)36(28)24-11-5-4-6-12-24;1-16(12-21-24-17(9-11-26-21)7-5-10-27-24)22-13-18-6-4-8-20(19-14-28-29(2)15-19)23(18)25(31)30(22)3/h3-17,19-21H,18H2,1-2H3;3-15,17-21H,16H2,1-2H3;4-16,18-20H,17H2,1-3H3;4-11,13-16H,12H2,1-3H3/t2*21-;20-;16-/m1111/s1.
What are the key properties of 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one?
8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one has a molecular weight of 1892.26 g/mol, XLogP of 22.92, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;8-(6-methoxy-3-pyridinyl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]-2-phenylisoquinolin-1-one;2-methyl-8-(1-methylpyrazol-4-yl)-3-[(2R)-1-(1,7-naphthyridin-8-yl)propan-2-yl]isoquinolin-1-one is sourced from PubChem (CID 158705040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).