N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide

C24H20FN5O2 — CID 165385261

IUPACN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)cc(F)c1-c1ccccc1
InChIInChI=1S/C24H20FN5O2/c1-3-32-21-10-16(9-19(25)22(21)15-7-5-4-6-8-15)24(31)30(2)14-17-12-27-20(11-26)18-13-28-29-23(17)18/h4-10,12-13H,3,14H2,1-2H3,(H,28,29)
InChIKeyUVTZHOYGEWYZCY-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.31
Rot. Bonds6

About N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide

N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide (PubChem CID 165385261) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide
PubChem CID165385261
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)cc(F)c1-c1ccccc1
InChIInChI=1S/C24H20FN5O2/c1-3-32-21-10-16(9-19(25)22(21)15-7-5-4-6-8-15)24(31)30(2)14-17-12-27-20(11-26)18-13-28-29-23(17)18/h4-10,12-13H,3,14H2,1-2H3,(H,28,29)
InChIKeyUVTZHOYGEWYZCY-UHFFFAOYSA-N
XLogP4.31
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide 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-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide?
The IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide (CID 165385261) is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide.
What is the SMILES notation for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide?
The canonical SMILES for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide is CCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)cc(F)c1-c1ccccc1.
What is the InChIKey of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide?
The InChIKey is UVTZHOYGEWYZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-3-32-21-10-16(9-19(25)22(21)15-7-5-4-6-8-15)24(31)30(2)14-17-12-27-20(11-26)18-13-28-29-23(17)18/h4-10,12-13H,3,14H2,1-2H3,(H,28,29).
What are the key properties of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide?
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide has a molecular weight of 429.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 165385261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).