5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine

C21H19ClN4O3 — CID 134138939

IUPAC5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine
SMILESCOc1cc(Nc2nc(Cl)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIInChI=1S/C21H19ClN4O3/c1-27-15-9-13(10-16(28-2)20(15)29-3)23-21-19-14(11-17(22)24-21)18(25-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,23,24)(H,25,26)
InChIKeyFVTLWADEYARHQD-UHFFFAOYSA-N
MW410.86 g/mol
LogP5.05
Rot. Bonds6

About 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine

5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine (PubChem CID 134138939) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine
PubChem CID134138939
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine
SMILESCOc1cc(Nc2nc(Cl)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIInChI=1S/C21H19ClN4O3/c1-27-15-9-13(10-16(28-2)20(15)29-3)23-21-19-14(11-17(22)24-21)18(25-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,23,24)(H,25,26)
InChIKeyFVTLWADEYARHQD-UHFFFAOYSA-N
XLogP5.05
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.86
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine?
The IUPAC name of 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine (CID 134138939) is 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine.
What is the SMILES notation for 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine?
The canonical SMILES for 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine is COc1cc(Nc2nc(Cl)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC.
What is the InChIKey of 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine?
The InChIKey is FVTLWADEYARHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-27-15-9-13(10-16(28-2)20(15)29-3)23-21-19-14(11-17(22)24-21)18(25-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine?
5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine has a molecular weight of 410.86 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine is sourced from PubChem (CID 134138939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).