2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform

C26H26F5N3O2 — CID 169249343

IUPAC2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform
SMILESFC(F)F.NC(=O)c1nccc2[nH]c(-c3ccc(C4CC(F)(F)C4)cc3C3CCCCC3)cc(=O)c12
InChIInChI=1S/C25H25F2N3O2.CHF3/c26-25(27)12-16(13-25)15-6-7-17(18(10-15)14-4-2-1-3-5-14)20-11-21(31)22-19(30-20)8-9-29-23(22)24(28)32;2-1(3)4/h6-11,14,16H,1-5,12-13H2,(H2,28,32)(H,30,31);1H
InChIKeyUOJLBAXQUHFISB-UHFFFAOYSA-N
MW507.50 g/mol
LogP6.43
Rot. Bonds4

About 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform

2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform (PubChem CID 169249343) has the molecular formula C26H26F5N3O2 and a molecular weight of 507.50 g/mol. Its IUPAC name is 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform.

Molecular Properties

Compound Name2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform
PubChem CID169249343
Molecular FormulaC26H26F5N3O2
Molecular Weight507.50 g/mol
Exact Mass507.19
IUPAC Name2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform
SMILESFC(F)F.NC(=O)c1nccc2[nH]c(-c3ccc(C4CC(F)(F)C4)cc3C3CCCCC3)cc(=O)c12
InChIInChI=1S/C25H25F2N3O2.CHF3/c26-25(27)12-16(13-25)15-6-7-17(18(10-15)14-4-2-1-3-5-14)20-11-21(31)22-19(30-20)8-9-29-23(22)24(28)32;2-1(3)4/h6-11,14,16H,1-5,12-13H2,(H2,28,32)(H,30,31);1H
InChIKeyUOJLBAXQUHFISB-UHFFFAOYSA-N
XLogP6.43
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.50
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform?
The IUPAC name of 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform (CID 169249343) is 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform.
What is the SMILES notation for 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform?
The canonical SMILES for 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform is FC(F)F.NC(=O)c1nccc2[nH]c(-c3ccc(C4CC(F)(F)C4)cc3C3CCCCC3)cc(=O)c12.
What is the InChIKey of 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform?
The InChIKey is UOJLBAXQUHFISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O2.CHF3/c26-25(27)12-16(13-25)15-6-7-17(18(10-15)14-4-2-1-3-5-14)20-11-21(31)22-19(30-20)8-9-29-23(22)24(28)32;2-1(3)4/h6-11,14,16H,1-5,12-13H2,(H2,28,32)(H,30,31);1H.
What are the key properties of 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform?
2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform has a molecular weight of 507.50 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-4-(3,3-difluorocyclobutyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;fluoroform is sourced from PubChem (CID 169249343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).