7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one

C27H25N5O3 — CID 178177056

IUPAC7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one
SMILESCOc1cn(-c2ccccc2)c(=O)c2cc(-c3nn(C4CC(CO)C4)c4ccnc(N)c34)ccc12
InChIInChI=1S/C27H25N5O3/c1-35-23-14-31(18-5-3-2-4-6-18)27(34)21-13-17(7-8-20(21)23)25-24-22(9-10-29-26(24)28)32(30-25)19-11-16(12-19)15-33/h2-10,13-14,16,19,33H,11-12,15H2,1H3,(H2,28,29)
InChIKeyUSSHKXGRRTYKDO-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.94
Rot. Bonds5

About 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one

7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one (PubChem CID 178177056) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one
PubChem CID178177056
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one
SMILESCOc1cn(-c2ccccc2)c(=O)c2cc(-c3nn(C4CC(CO)C4)c4ccnc(N)c34)ccc12
InChIInChI=1S/C27H25N5O3/c1-35-23-14-31(18-5-3-2-4-6-18)27(34)21-13-17(7-8-20(21)23)25-24-22(9-10-29-26(24)28)32(30-25)19-11-16(12-19)15-33/h2-10,13-14,16,19,33H,11-12,15H2,1H3,(H2,28,29)
InChIKeyUSSHKXGRRTYKDO-UHFFFAOYSA-N
XLogP3.94
TPSA108.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-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

N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 122609285
3-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]methyl]-8-methyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]isoquinolin-1-one
CID 156307953
4-amino-N,1-dimethyl-N-[(4R)-7-[1-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866876
4-amino-7-fluoro-N,1,3-trimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866887
4-amino-N,1-dimethyl-N-[7-[1-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866918
4-amino-N,1-dimethyl-N-[(4R)-7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866929
4-amino-7-fluoro-N-[(4S)-8-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
CID 164866940
4-amino-N-[(4S)-7,8-difluoro-3,4-dihydro-1H-isochromen-4-yl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866969
4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867001
4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 164867004
4-amino-N-[(4S)-7,8-difluoro-3,4-dihydro-1H-isochromen-4-yl]-7-fluoro-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867021
4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867040

Frequently Asked Questions

What is the IUPAC name of 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one?
The IUPAC name of 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one (CID 178177056) is 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one.
What is the SMILES notation for 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one?
The canonical SMILES for 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one is COc1cn(-c2ccccc2)c(=O)c2cc(-c3nn(C4CC(CO)C4)c4ccnc(N)c34)ccc12.
What is the InChIKey of 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one?
The InChIKey is USSHKXGRRTYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-35-23-14-31(18-5-3-2-4-6-18)27(34)21-13-17(7-8-20(21)23)25-24-22(9-10-29-26(24)28)32(30-25)19-11-16(12-19)15-33/h2-10,13-14,16,19,33H,11-12,15H2,1H3,(H2,28,29).
What are the key properties of 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one?
7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one has a molecular weight of 467.53 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-amino-1-[3-(hydroxymethyl)cyclobutyl]pyrazolo[4,3-c]pyridin-3-yl]-4-methoxy-2-phenylisoquinolin-1-one is sourced from PubChem (CID 178177056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).