1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide

C34H38N8O — CID 157263478

IUPAC1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide
SMILESCc1c(-c2nn(C3CCC(CN4CCC(C(N)=O)CC4)CC3)c3ncnc(N)c23)ccc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C34H38N8O/c1-21-27(13-9-24-10-14-28(39-30(21)24)23-5-3-2-4-6-23)31-29-32(35)37-20-38-34(29)42(40-31)26-11-7-22(8-12-26)19-41-17-15-25(16-18-41)33(36)43/h2-6,9-10,13-14,20,22,25-26H,7-8,11-12,15-19H2,1H3,(H2,36,43)(H2,35,37,38)
InChIKeyZNZSNAREHXRPLY-UHFFFAOYSA-N
MW574.73 g/mol
LogP5.53
Rot. Bonds6

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

1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide (PubChem CID 157263478) has the molecular formula C34H38N8O and a molecular weight of 574.73 g/mol. Its IUPAC name is 1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide
PubChem CID157263478
Molecular FormulaC34H38N8O
Molecular Weight574.73 g/mol
Exact Mass574.32
IUPAC Name1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide
SMILESCc1c(-c2nn(C3CCC(CN4CCC(C(N)=O)CC4)CC3)c3ncnc(N)c23)ccc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C34H38N8O/c1-21-27(13-9-24-10-14-28(39-30(21)24)23-5-3-2-4-6-23)31-29-32(35)37-20-38-34(29)42(40-31)26-11-7-22(8-12-26)19-41-17-15-25(16-18-41)33(36)43/h2-6,9-10,13-14,20,22,25-26H,7-8,11-12,15-19H2,1H3,(H2,36,43)(H2,35,37,38)
InChIKeyZNZSNAREHXRPLY-UHFFFAOYSA-N
XLogP5.53
TPSA128.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide 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

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
3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol
CID 159690441
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
4-[4-amino-3-(2-phenoxyquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1-carboxamide
CID 66677064
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-[4-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 155345536
acetic acid;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162318855
tert-butyl 4-[[1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 162719606
1-[4-(aminomethyl)cyclohexyl]-3-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 66676317
4-[4-amino-3-(2-pyridin-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1-carboxylic acid
CID 90825625
3-(4-phenoxyphenyl)-1-[1-[[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167479993

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 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) is 1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide is Cc1c(-c2nn(C3CCC(CN4CCC(C(N)=O)CC4)CC3)c3ncnc(N)c23)ccc2ccc(-c3ccccc3)nc12.
What is the InChIKey of 1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZNZSNAREHXRPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O/c1-21-27(13-9-24-10-14-28(39-30(21)24)23-5-3-2-4-6-23)31-29-32(35)37-20-38-34(29)42(40-31)26-11-7-22(8-12-26)19-41-17-15-25(16-18-41)33(36)43/h2-6,9-10,13-14,20,22,25-26H,7-8,11-12,15-19H2,1H3,(H2,36,43)(H2,35,37,38).
What are the key properties of 1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide?
1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide has a molecular weight of 574.73 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 157263478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).