3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine

C23H14ClN7 — CID 66676502

IUPAC3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc3nc(-c4ccccn4)ccc3cc1Cl)nn2C1=CC=C1
InChIInChI=1S/C23H14ClN7/c24-16-10-13-7-8-18(17-6-1-2-9-26-17)29-19(13)11-15(16)21-20-22(25)27-12-28-23(20)31(30-21)14-4-3-5-14/h1-12H,(H2,25,27,28)
InChIKeyAOIGIHAJRZEGRJ-UHFFFAOYSA-N
MW423.87 g/mol
LogP4.75
Rot. Bonds3

About 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 66676502) has the molecular formula C23H14ClN7 and a molecular weight of 423.87 g/mol. Its IUPAC name is 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID66676502
Molecular FormulaC23H14ClN7
Molecular Weight423.87 g/mol
Exact Mass423.10
IUPAC Name3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc3nc(-c4ccccn4)ccc3cc1Cl)nn2C1=CC=C1
InChIInChI=1S/C23H14ClN7/c24-16-10-13-7-8-18(17-6-1-2-9-26-17)29-19(13)11-15(16)21-20-22(25)27-12-28-23(20)31(30-21)14-4-3-5-14/h1-12H,(H2,25,27,28)
InChIKeyAOIGIHAJRZEGRJ-UHFFFAOYSA-N
XLogP4.75
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.87
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine 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

CID 87785660
CID 87785660
[4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
CID 69328063
4-[4-amino-3-(6-chloro-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylcyclohexane-1-carboxamide
CID 66676850
4-[4-amino-3-(2-pyridin-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1-carboxylic acid
CID 90825625
carbamic acid;3-(6-chloro-2-phenoxyquinolin-7-yl)-1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-amine
CID 130332111
7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 66676822
1-[4-(aminomethyl)cyclohexyl]-3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 66676261
CID 87785661
CID 87785661
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
1-propan-2-yl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905152
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
4-[4-amino-5-(6-chloro-2-thiophen-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylcyclohexane-1-carboxamide
CID 66676447

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 66676502) is 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cc3nc(-c4ccccn4)ccc3cc1Cl)nn2C1=CC=C1.
What is the InChIKey of 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AOIGIHAJRZEGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN7/c24-16-10-13-7-8-18(17-6-1-2-9-26-17)29-19(13)11-15(16)21-20-22(25)27-12-28-23(20)31(30-21)14-4-3-5-14/h1-12H,(H2,25,27,28).
What are the key properties of 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 423.87 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-1-(cyclobutadienyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 66676502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).