4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

C27H26ClFN4O3 — CID 163582409

IUPAC4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1C(=O)N1CCc2c(C(C)C)ccc(F)c2C1
InChIInChI=1S/C27H26ClFN4O3/c1-14(2)16-5-6-22(29)20-13-33(8-7-17(16)20)26(34)24-21(28)9-15(10-23(24)36-4)19-12-32(3)27(35)25-18(19)11-30-31-25/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,30,31)
InChIKeyGIQXPOUNEDSKAL-UHFFFAOYSA-N
MW508.98 g/mol
LogP5.05
Rot. Bonds4

About 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 163582409) has the molecular formula C27H26ClFN4O3 and a molecular weight of 508.98 g/mol. Its IUPAC name is 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID163582409
Molecular FormulaC27H26ClFN4O3
Molecular Weight508.98 g/mol
Exact Mass508.17
IUPAC Name4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1C(=O)N1CCc2c(C(C)C)ccc(F)c2C1
InChIInChI=1S/C27H26ClFN4O3/c1-14(2)16-5-6-22(29)20-13-33(8-7-17(16)20)26(34)24-21(28)9-15(10-23(24)36-4)19-12-32(3)27(35)25-18(19)11-30-31-25/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,30,31)
InChIKeyGIQXPOUNEDSKAL-UHFFFAOYSA-N
XLogP5.05
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.98
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 169241729
2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
CID 164719945
4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 177321527
4-[3,5-dimethoxy-4-[(propan-2-ylamino)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167060406
4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167379571
6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one
CID 170020508
3-[4-[4-[[2-[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)benzoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 164720121
tert-butyl 6-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 164720775
3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 166730117
3-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-fluoroanilino]piperidine-2,6-dione
CID 163661669
4-[3-chloro-4-(3,3-difluoro-4-propan-2-ylpiperidine-1-carbonyl)-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3,5-dimethoxy-4-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one;4-[3-fluoro-5-methoxy-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;2-methyl-4-[3-methyl-4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]-2,7-naphthyridin-1-one
CID 165032114
3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 164720229

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (CID 163582409) is 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1C(=O)N1CCc2c(C(C)C)ccc(F)c2C1.
What is the InChIKey of 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is GIQXPOUNEDSKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O3/c1-14(2)16-5-6-22(29)20-13-33(8-7-17(16)20)26(34)24-21(28)9-15(10-23(24)36-4)19-12-32(3)27(35)25-18(19)11-30-31-25/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,30,31).
What are the key properties of 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 508.98 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 163582409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).