5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C28H28FN5O — CID 26136358

IUPAC5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C28H28FN5O/c29-23-11-9-22(10-12-23)19-33-16-14-26-25(20-33)27(28(35)31-18-24-8-4-5-15-30-24)32-34(26)17-13-21-6-2-1-3-7-21/h1-12,15H,13-14,16-20H2,(H,31,35)
InChIKeyINWUDJWGEVYOLT-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.15
Rot. Bonds8

About 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26136358) has the molecular formula C28H28FN5O and a molecular weight of 469.56 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26136358
Molecular FormulaC28H28FN5O
Molecular Weight469.56 g/mol
Exact Mass469.23
IUPAC Name5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C28H28FN5O/c29-23-11-9-22(10-12-23)19-33-16-14-26-25(20-33)27(28(35)31-18-24-8-4-5-15-30-24)32-34(26)17-13-21-6-2-1-3-7-21/h1-12,15H,13-14,16-20H2,(H,31,35)
InChIKeyINWUDJWGEVYOLT-UHFFFAOYSA-N
XLogP4.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-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 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26136358) is 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is INWUDJWGEVYOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O/c29-23-11-9-22(10-12-23)19-33-16-14-26-25(20-33)27(28(35)31-18-24-8-4-5-15-30-24)32-34(26)17-13-21-6-2-1-3-7-21/h1-12,15H,13-14,16-20H2,(H,31,35).
What are the key properties of 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26136358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).