N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H21N5O2 — CID 39861575

IUPACN-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1
InChIInChI=1S/C27H21N5O2/c1-31(17-20-11-9-19(15-28)10-12-20)27(33)23-14-25(21-6-3-2-4-7-21)30-26-24(23)16-29-32(26)18-22-8-5-13-34-22/h2-14,16H,17-18H2,1H3
InChIKeyVFTSIRUHGWJVAN-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.88
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 39861575) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID39861575
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC NameN-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1
InChIInChI=1S/C27H21N5O2/c1-31(17-20-11-9-19(15-28)10-12-20)27(33)23-14-25(21-6-3-2-4-7-21)30-26-24(23)16-29-32(26)18-22-8-5-13-34-22/h2-14,16H,17-18H2,1H3
InChIKeyVFTSIRUHGWJVAN-UHFFFAOYSA-N
XLogP4.88
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-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 N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 39861575) is N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VFTSIRUHGWJVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c1-31(17-20-11-9-19(15-28)10-12-20)27(33)23-14-25(21-6-3-2-4-7-21)30-26-24(23)16-29-32(26)18-22-8-5-13-34-22/h2-14,16H,17-18H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39861575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).