4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

C25H22FN5O2 — CID 165385198

IUPAC4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1cccc(C#N)c1
InChIInChI=1S/C25H22FN5O2/c1-3-33-23-10-18(7-8-20(23)17-6-4-5-16(9-17)12-27)25(32)31(2)15-19-13-28-22(11-26)21-14-29-30-24(19)21/h4-10,13-14H,3,11,15H2,1-2H3,(H,29,30)
InChIKeyXQFFKPZVZBCZIL-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.64
Rot. Bonds7

About 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (PubChem CID 165385198) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
PubChem CID165385198
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1cccc(C#N)c1
InChIInChI=1S/C25H22FN5O2/c1-3-33-23-10-18(7-8-20(23)17-6-4-5-16(9-17)12-27)25(32)31(2)15-19-13-28-22(11-26)21-14-29-30-24(19)21/h4-10,13-14H,3,11,15H2,1-2H3,(H,29,30)
InChIKeyXQFFKPZVZBCZIL-UHFFFAOYSA-N
XLogP4.64
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-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 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (CID 165385198) is 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1cccc(C#N)c1.
What is the InChIKey of 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?
The InChIKey is XQFFKPZVZBCZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-3-33-23-10-18(7-8-20(23)17-6-4-5-16(9-17)12-27)25(32)31(2)15-19-13-28-22(11-26)21-14-29-30-24(19)21/h4-10,13-14H,3,11,15H2,1-2H3,(H,29,30).
What are the key properties of 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?
4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide has a molecular weight of 443.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 165385198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).