2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide

C31H25FN4O3 — CID 91541347

IUPAC2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1-c1cnc2oc(Cc3ccc(F)cc3)c(C(N)=O)c2c1
InChIInChI=1S/C31H25FN4O3/c1-18-5-8-20(29(38)36-31(11-12-31)26-4-2-3-13-34-26)15-23(18)21-16-24-27(28(33)37)25(39-30(24)35-17-21)14-19-6-9-22(32)10-7-19/h2-10,13,15-17H,11-12,14H2,1H3,(H2,33,37)(H,36,38)
InChIKeyZHDMIFUOAAAHJS-UHFFFAOYSA-N
MW520.56 g/mol
LogP5.45
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide

2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 91541347) has the molecular formula C31H25FN4O3 and a molecular weight of 520.56 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide
PubChem CID91541347
Molecular FormulaC31H25FN4O3
Molecular Weight520.56 g/mol
Exact Mass520.19
IUPAC Name2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1-c1cnc2oc(Cc3ccc(F)cc3)c(C(N)=O)c2c1
InChIInChI=1S/C31H25FN4O3/c1-18-5-8-20(29(38)36-31(11-12-31)26-4-2-3-13-34-26)15-23(18)21-16-24-27(28(33)37)25(39-30(24)35-17-21)14-19-6-9-22(32)10-7-19/h2-10,13,15-17H,11-12,14H2,1H3,(H2,33,37)(H,36,38)
InChIKeyZHDMIFUOAAAHJS-UHFFFAOYSA-N
XLogP5.45
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]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

Related Compounds

2,3-Diphenyl-N-(2-piperazin-1-ylethyl)furo(2,3-B)pyridin-4-amine
CID 11553058
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-4-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275494
5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 85470079
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
[2-(3-Fluoro-2,6-dimethyl-phenoxy)-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 44194118
4-(3-Fluorophenyl)spiro[17-oxa-5,13-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 56669834
5-(3-(tert-butylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 59233666
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275242
2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275359
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-3-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275372
2-(4-Fluorophenyl)-N-methyl-5-(2-methyl-5-(1-(pyrazin-2-yl)cyclopropylcarbamoyl)phenyl)benzofuran-3-carboxamide
CID 59505132
2-(4-Fluorophenyl)-N-methyl-5-(2-methyl-5-(1-(pyrimidin-4-yl)cyclopropyl carbamoyl)phenyl)benzofuran-3-carboxamide
CID 59505145

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide (CID 91541347) is 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide is Cc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1-c1cnc2oc(Cc3ccc(F)cc3)c(C(N)=O)c2c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZHDMIFUOAAAHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN4O3/c1-18-5-8-20(29(38)36-31(11-12-31)26-4-2-3-13-34-26)15-23(18)21-16-24-27(28(33)37)25(39-30(24)35-17-21)14-19-6-9-22(32)10-7-19/h2-10,13,15-17H,11-12,14H2,1H3,(H2,33,37)(H,36,38).
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide?
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 520.56 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 91541347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).