N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide

C30H29F4N3O5 — CID 166680777

IUPACN-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
SMILESCC(O)(CNC(=O)c1ccc(OC2CC2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(N)C(F)(F)F
InChIInChI=1S/C30H29F4N3O5/c1-28(39,14-36-27(38)17-4-11-22(41-19-7-8-19)23(12-17)42-20-9-10-20)24-13-21-26(40-15-29(21,35)30(32,33)34)25(37-24)16-2-5-18(31)6-3-16/h2-6,11-13,19-20,39H,7-10,14-15,35H2,1H3,(H,36,38)
InChIKeyZNXZUWOAGYEJOQ-UHFFFAOYSA-N
MW587.57 g/mol
LogP4.72
Rot. Bonds9

About N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide

N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide (PubChem CID 166680777) has the molecular formula C30H29F4N3O5 and a molecular weight of 587.57 g/mol. Its IUPAC name is N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide.

Molecular Properties

Compound NameN-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
PubChem CID166680777
Molecular FormulaC30H29F4N3O5
Molecular Weight587.57 g/mol
Exact Mass587.20
IUPAC NameN-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
SMILESCC(O)(CNC(=O)c1ccc(OC2CC2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(N)C(F)(F)F
InChIInChI=1S/C30H29F4N3O5/c1-28(39,14-36-27(38)17-4-11-22(41-19-7-8-19)23(12-17)42-20-9-10-20)24-13-21-26(40-15-29(21,35)30(32,33)34)25(37-24)16-2-5-18(31)6-3-16/h2-6,11-13,19-20,39H,7-10,14-15,35H2,1H3,(H,36,38)
InChIKeyZNXZUWOAGYEJOQ-UHFFFAOYSA-N
XLogP4.72
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.57
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide 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

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide
CID 165436687
N-[2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166667153
4-cyclopropyloxy-N-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 167023914
4-cyclopropyloxy-N-[2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 167023665
N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166688293
(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167665389
(3R)-5-[(2S)-1-[(3-cyclopropyloxy-4-pyridin-4-ylbenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167640405
(3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167637507
(3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167599373
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide
CID 166688364
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
(3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-(1,3-thiazol-5-yl)benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167687356

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide?
The IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide (CID 166680777) is N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide.
What is the SMILES notation for N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide?
The canonical SMILES for N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide is CC(O)(CNC(=O)c1ccc(OC2CC2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(N)C(F)(F)F.
What is the InChIKey of N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide?
The InChIKey is ZNXZUWOAGYEJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F4N3O5/c1-28(39,14-36-27(38)17-4-11-22(41-19-7-8-19)23(12-17)42-20-9-10-20)24-13-21-26(40-15-29(21,35)30(32,33)34)25(37-24)16-2-5-18(31)6-3-16/h2-6,11-13,19-20,39H,7-10,14-15,35H2,1H3,(H,36,38).
What are the key properties of N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide?
N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide has a molecular weight of 587.57 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide is sourced from PubChem (CID 166680777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).