4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H20ClFN4O2 — CID 42099540

IUPAC4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C23H20ClFN4O2/c1-14-20-21(24)19(23(30)26-12-11-15-3-9-18(31-2)10-4-15)13-27-22(20)29(28-14)17-7-5-16(25)6-8-17/h3-10,13H,11-12H2,1-2H3,(H,26,30)
InChIKeyJYYAALIRVHXTKO-UHFFFAOYSA-N
MW438.89 g/mol
LogP4.50
Rot. Bonds6

About 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 42099540) has the molecular formula C23H20ClFN4O2 and a molecular weight of 438.89 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID42099540
Molecular FormulaC23H20ClFN4O2
Molecular Weight438.89 g/mol
Exact Mass438.13
IUPAC Name4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C23H20ClFN4O2/c1-14-20-21(24)19(23(30)26-12-11-15-3-9-18(31-2)10-4-15)13-27-22(20)29(28-14)17-7-5-16(25)6-8-17/h3-10,13H,11-12H2,1-2H3,(H,26,30)
InChIKeyJYYAALIRVHXTKO-UHFFFAOYSA-N
XLogP4.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide 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 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 42099540) is 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(CCNC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JYYAALIRVHXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O2/c1-14-20-21(24)19(23(30)26-12-11-15-3-9-18(31-2)10-4-15)13-27-22(20)29(28-14)17-7-5-16(25)6-8-17/h3-10,13H,11-12H2,1-2H3,(H,26,30).
What are the key properties of 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 438.89 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 42099540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).