N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide

C27H22FN5O3 — CID 135401501

IUPACN-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide
SMILESN#Cc1c(-c2cccc(N3CCNCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1
InChIInChI=1S/C27H22FN5O3/c28-18-6-7-20(24(34)14-18)23-15-21(17-3-1-4-19(13-17)33-10-8-30-9-11-33)22(16-29)26(31-23)32-27(35)25-5-2-12-36-25/h1-7,12-15,30,34H,8-11H2,(H,31,32,35)
InChIKeyUCWLBOAGWWOUDD-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.39
Rot. Bonds5

About N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide

N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide (PubChem CID 135401501) has the molecular formula C27H22FN5O3 and a molecular weight of 483.50 g/mol. Its IUPAC name is N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide
PubChem CID135401501
Molecular FormulaC27H22FN5O3
Molecular Weight483.50 g/mol
Exact Mass483.17
IUPAC NameN-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide
SMILESN#Cc1c(-c2cccc(N3CCNCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1
InChIInChI=1S/C27H22FN5O3/c28-18-6-7-20(24(34)14-18)23-15-21(17-3-1-4-19(13-17)33-10-8-30-9-11-33)22(16-29)26(31-23)32-27(35)25-5-2-12-36-25/h1-7,12-15,30,34H,8-11H2,(H,31,32,35)
InChIKeyUCWLBOAGWWOUDD-UHFFFAOYSA-N
XLogP4.39
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-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-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide (CID 135401501) is N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide is N#Cc1c(-c2cccc(N3CCNCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1.
What is the InChIKey of N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is UCWLBOAGWWOUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O3/c28-18-6-7-20(24(34)14-18)23-15-21(17-3-1-4-19(13-17)33-10-8-30-9-11-33)22(16-29)26(31-23)32-27(35)25-5-2-12-36-25/h1-7,12-15,30,34H,8-11H2,(H,31,32,35).
What are the key properties of N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide?
N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-piperazin-1-ylphenyl)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 135401501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).