3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

C23H19F3N4O2 — CID 165385152

IUPAC3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
SMILESCN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCC(F)F)c1
InChIInChI=1S/C23H19F3N4O2/c1-30(12-17-10-27-9-16-11-28-29-22(16)17)23(31)15-5-6-19(14-3-2-4-18(24)7-14)20(8-15)32-13-21(25)26/h2-11,21H,12-13H2,1H3,(H,28,29)
InChIKeyWUGISRPEBNFHTM-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.68
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (PubChem CID 165385152) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
PubChem CID165385152
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
SMILESCN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCC(F)F)c1
InChIInChI=1S/C23H19F3N4O2/c1-30(12-17-10-27-9-16-11-28-29-22(16)17)23(31)15-5-6-19(14-3-2-4-18(24)7-14)20(8-15)32-13-21(25)26/h2-11,21H,12-13H2,1H3,(H,28,29)
InChIKeyWUGISRPEBNFHTM-UHFFFAOYSA-N
XLogP4.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide 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 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (CID 165385152) is 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCC(F)F)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The InChIKey is WUGISRPEBNFHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-30(12-17-10-27-9-16-11-28-29-22(16)17)23(31)15-5-6-19(14-3-2-4-18(24)7-14)20(8-15)32-13-21(25)26/h2-11,21H,12-13H2,1H3,(H,28,29).
What are the key properties of 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide has a molecular weight of 440.43 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is sourced from PubChem (CID 165385152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).