3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol

C26H24N6O — CID 159690441

IUPAC3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol
SMILESCc1c(-c2nn(C3CC(C)(O)C3)c3ncnc(N)c23)ccc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C26H24N6O/c1-15-19(10-8-17-9-11-20(30-22(15)17)16-6-4-3-5-7-16)23-21-24(27)28-14-29-25(21)32(31-23)18-12-26(2,33)13-18/h3-11,14,18,33H,12-13H2,1-2H3,(H2,27,28,29)
InChIKeyQCPQBQOBHQCLOY-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.69
Rot. Bonds3

About 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol

3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol (PubChem CID 159690441) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol
PubChem CID159690441
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol
SMILESCc1c(-c2nn(C3CC(C)(O)C3)c3ncnc(N)c23)ccc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C26H24N6O/c1-15-19(10-8-17-9-11-20(30-22(15)17)16-6-4-3-5-7-16)23-21-24(27)28-14-29-25(21)32(31-23)18-12-26(2,33)13-18/h3-11,14,18,33H,12-13H2,1-2H3,(H2,27,28,29)
InChIKeyQCPQBQOBHQCLOY-UHFFFAOYSA-N
XLogP4.69
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutyl]piperazin-1-yl]ethanone
CID 159863796
1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide
CID 157263478
methyl 4-[3-[4-amino-5-(8-methyl-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]piperazine-1-carboxylate
CID 59519375
3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclopentan-1-ol
CID 154638063
7-[4-amino-1-(3-hydroxy-3-methylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-(2-bicyclo[2.1.1]hexanyl)-8-fluoroisoquinolin-1-one
CID 178177088
4-[4-amino-3-(6-chloro-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylcyclohexane-1-carboxamide
CID 66676850
1-[4-(aminomethyl)cyclohexyl]-3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 66676261
acetic acid;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162318855
1-(aminomethyl)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutan-1-ol
CID 22346902
3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 177076997
1-[4-(aminomethyl)cyclohexyl]-3-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 66676317
1-[7-(1-methylazetidin-3-yl)-7-azaspiro[3.5]nonan-2-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 178016169

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol (CID 159690441) is 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol is Cc1c(-c2nn(C3CC(C)(O)C3)c3ncnc(N)c23)ccc2ccc(-c3ccccc3)nc12.
What is the InChIKey of 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol?
The InChIKey is QCPQBQOBHQCLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-15-19(10-8-17-9-11-20(30-22(15)17)16-6-4-3-5-7-16)23-21-24(27)28-14-29-25(21)32(31-23)18-12-26(2,33)13-18/h3-11,14,18,33H,12-13H2,1-2H3,(H2,27,28,29).
What are the key properties of 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol?
3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol has a molecular weight of 436.52 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 159690441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).