N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide

C24H19F3N4O2 — CID 25118571

IUPACN-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O
InChIInChI=1S/C24H19F3N4O2/c1-12-16(8-13(10-20(12)27)22(32)29-15-6-7-15)17-9-14-11-28-31(23(14)30(2)24(17)33)21-18(25)4-3-5-19(21)26/h3-5,8-11,15H,6-7H2,1-2H3,(H,29,32)
InChIKeyAMMFJRHKDLEQCV-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.01
Rot. Bonds4

About N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide

N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide (PubChem CID 25118571) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide
PubChem CID25118571
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC NameN-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O
InChIInChI=1S/C24H19F3N4O2/c1-12-16(8-13(10-20(12)27)22(32)29-15-6-7-15)17-9-14-11-28-31(23(14)30(2)24(17)33)21-18(25)4-3-5-19(21)26/h3-5,8-11,15H,6-7H2,1-2H3,(H,29,32)
InChIKeyAMMFJRHKDLEQCV-UHFFFAOYSA-N
XLogP4.01
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide 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 N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide (CID 25118571) is N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide?
The InChIKey is AMMFJRHKDLEQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-12-16(8-13(10-20(12)27)22(32)29-15-6-7-15)17-9-14-11-28-31(23(14)30(2)24(17)33)21-18(25)4-3-5-19(21)26/h3-5,8-11,15H,6-7H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide?
N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide has a molecular weight of 452.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 25118571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).