4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine

C35H25ClF3N7O — CID 162266347

IUPAC4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc(Cn2cc3c(n2)c(Cl)nc2ccccc23)cc1.FC(F)(F)c1cccc(Nc2nc3ccccc3c3cn[nH]c23)c1
InChIInChI=1S/C18H14ClN3O.C17H11F3N4/c1-23-13-8-6-12(7-9-13)10-22-11-15-14-4-2-3-5-16(14)20-18(19)17(15)21-22;18-17(19,20)10-4-3-5-11(8-10)22-16-15-13(9-21-24-15)12-6-1-2-7-14(12)23-16/h2-9,11H,10H2,1H3;1-9H,(H,21,24)(H,22,23)
InChIKeyZZYMPJXQLZFURI-UHFFFAOYSA-N
MW652.08 g/mol
LogP9.17
Rot. Bonds5

About 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine

4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 162266347) has the molecular formula C35H25ClF3N7O and a molecular weight of 652.08 g/mol. Its IUPAC name is 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound Name4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID162266347
Molecular FormulaC35H25ClF3N7O
Molecular Weight652.08 g/mol
Exact Mass651.18
IUPAC Name4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc(Cn2cc3c(n2)c(Cl)nc2ccccc23)cc1.FC(F)(F)c1cccc(Nc2nc3ccccc3c3cn[nH]c23)c1
InChIInChI=1S/C18H14ClN3O.C17H11F3N4/c1-23-13-8-6-12(7-9-13)10-22-11-15-14-4-2-3-5-16(14)20-18(19)17(15)21-22;18-17(19,20)10-4-3-5-11(8-10)22-16-15-13(9-21-24-15)12-6-1-2-7-14(12)23-16/h2-9,11H,10H2,1H3;1-9H,(H,21,24)(H,22,23)
InChIKeyZZYMPJXQLZFURI-UHFFFAOYSA-N
XLogP9.17
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.08
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-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

N-(1H-indazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-amine
CID 118706735
4-N-(1H-indazol-5-yl)-2-N-[2-(1H-indol-3-yl)ethyl]-7-methoxyquinazoline-2,4-diamine
CID 137632050
1-methyl-3-[3-[4-(1H-pyrazol-4-yl)pyrimidin-2-yl]oxyphenyl]pyrrolo[3,2-b]quinoline
CID 118707952
2-N-(1H-indazol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]-7-methoxyquinazoline-2,4-diamine
CID 137643540
N-[3-[3-[3-fluoro-5-methoxy-4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]pyrido[3,4-b]pyrazin-5-amine
CID 155379525
5-N-[(4-methoxyphenyl)methyl]-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 127033882
5-Chloro-1-[(4-methoxyphenyl)methyl]-3-phenyl-7-piperazin-1-ylpyrazolo[3,4-c]pyridine
CID 134140245
N-[(4-methoxyphenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 122184266
7-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]-3-phenyl-N'-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridine-5-carboximidamide
CID 164615930
3-{[4-(5-chloro-2-pyridinyl)-1-piperazinyl]methyl}-6-methoxy-1H-indazole
CID 56901102
N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxyquinolin-4-amine
CID 57691008
2-[(4-Methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline
CID 59320604

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 162266347) is 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccccc23)cc1.FC(F)(F)c1cccc(Nc2nc3ccccc3c3cn[nH]c23)c1.
What is the InChIKey of 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is ZZYMPJXQLZFURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O.C17H11F3N4/c1-23-13-8-6-12(7-9-13)10-22-11-15-14-4-2-3-5-16(14)20-18(19)17(15)21-22;18-17(19,20)10-4-3-5-11(8-10)22-16-15-13(9-21-24-15)12-6-1-2-7-14(12)23-16/h2-9,11H,10H2,1H3;1-9H,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine?
4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 652.08 g/mol, XLogP of 9.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;N-[3-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 162266347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).