1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C34H28F3N3O4 — CID 142518762

IUPAC1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1nc2cccnc2c(C(=O)N(Cc2ccc(-c3cccc(C4(C(=O)O)CC4)c3)cc2)Cc2ccc(C(F)(F)F)o2)c1C
InChIInChI=1S/C34H28F3N3O4/c1-20-21(2)39-27-7-4-16-38-30(27)29(20)31(41)40(19-26-12-13-28(44-26)34(35,36)37)18-22-8-10-23(11-9-22)24-5-3-6-25(17-24)33(14-15-33)32(42)43/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,42,43)
InChIKeyFNNCOLBIZHFMCC-UHFFFAOYSA-N
MW599.61 g/mol
LogP7.48
Rot. Bonds8

About 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 142518762) has the molecular formula C34H28F3N3O4 and a molecular weight of 599.61 g/mol. Its IUPAC name is 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID142518762
Molecular FormulaC34H28F3N3O4
Molecular Weight599.61 g/mol
Exact Mass599.20
IUPAC Name1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1nc2cccnc2c(C(=O)N(Cc2ccc(-c3cccc(C4(C(=O)O)CC4)c3)cc2)Cc2ccc(C(F)(F)F)o2)c1C
InChIInChI=1S/C34H28F3N3O4/c1-20-21(2)39-27-7-4-16-38-30(27)29(20)31(41)40(19-26-12-13-28(44-26)34(35,36)37)18-22-8-10-23(11-9-22)24-5-3-6-25(17-24)33(14-15-33)32(42)43/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,42,43)
InChIKeyFNNCOLBIZHFMCC-UHFFFAOYSA-N
XLogP7.48
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.61
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 142518762) is 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1nc2cccnc2c(C(=O)N(Cc2ccc(-c3cccc(C4(C(=O)O)CC4)c3)cc2)Cc2ccc(C(F)(F)F)o2)c1C.
What is the InChIKey of 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is FNNCOLBIZHFMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F3N3O4/c1-20-21(2)39-27-7-4-16-38-30(27)29(20)31(41)40(19-26-12-13-28(44-26)34(35,36)37)18-22-8-10-23(11-9-22)24-5-3-6-25(17-24)33(14-15-33)32(42)43/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,42,43).
What are the key properties of 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 599.61 g/mol, XLogP of 7.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[(2,3-dimethyl-1,5-naphthyridine-4-carbonyl)-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142518762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).