8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide

C26H20F2N6O — CID 44556234

IUPAC8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide
SMILESNC(=O)c1nnc2c3cc(-c4ccccc4)c(-c4ccc(C5(N)CC(F)(F)C5)cc4)nc3ccn12
InChIInChI=1S/C26H20F2N6O/c27-26(28)13-25(30,14-26)17-8-6-16(7-9-17)21-18(15-4-2-1-3-5-15)12-19-20(31-21)10-11-34-23(19)32-33-24(34)22(29)35/h1-12H,13-14,30H2,(H2,29,35)
InChIKeySFNCOGQEYGBABG-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.29
Rot. Bonds4

About 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide

8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide (PubChem CID 44556234) has the molecular formula C26H20F2N6O and a molecular weight of 470.48 g/mol. Its IUPAC name is 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide.

Molecular Properties

Compound Name8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide
PubChem CID44556234
Molecular FormulaC26H20F2N6O
Molecular Weight470.48 g/mol
Exact Mass470.17
IUPAC Name8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide
SMILESNC(=O)c1nnc2c3cc(-c4ccccc4)c(-c4ccc(C5(N)CC(F)(F)C5)cc4)nc3ccn12
InChIInChI=1S/C26H20F2N6O/c27-26(28)13-25(30,14-26)17-8-6-16(7-9-17)21-18(15-4-2-1-3-5-15)12-19-20(31-21)10-11-34-23(19)32-33-24(34)22(29)35/h1-12H,13-14,30H2,(H2,29,35)
InChIKeySFNCOGQEYGBABG-UHFFFAOYSA-N
XLogP4.29
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide?
The IUPAC name of 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide (CID 44556234) is 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide.
What is the SMILES notation for 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide?
The canonical SMILES for 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide is NC(=O)c1nnc2c3cc(-c4ccccc4)c(-c4ccc(C5(N)CC(F)(F)C5)cc4)nc3ccn12.
What is the InChIKey of 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide?
The InChIKey is SFNCOGQEYGBABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6O/c27-26(28)13-25(30,14-26)17-8-6-16(7-9-17)21-18(15-4-2-1-3-5-15)12-19-20(31-21)10-11-34-23(19)32-33-24(34)22(29)35/h1-12H,13-14,30H2,(H2,29,35).
What are the key properties of 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide?
8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-amino-3,3-difluorocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine-3-carboxamide is sourced from PubChem (CID 44556234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).