N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine

C26H11F12N5 — CID 122203250

IUPACN-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n3)nc2n1
InChIInChI=1S/C26H11F12N5/c27-23(28,29)15-10-17(25(33,34)35)39-21-13(15)6-8-19(41-21)43(12-4-2-1-3-5-12)20-9-7-14-16(24(30,31)32)11-18(26(36,37)38)40-22(14)42-20/h1-11H
InChIKeyOJAPUOCEIURUCP-UHFFFAOYSA-N
MW621.39 g/mol
LogP9.12
Rot. Bonds3

About N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine

N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (PubChem CID 122203250) has the molecular formula C26H11F12N5 and a molecular weight of 621.39 g/mol. Its IUPAC name is N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
PubChem CID122203250
Molecular FormulaC26H11F12N5
Molecular Weight621.39 g/mol
Exact Mass621.08
IUPAC NameN-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n3)nc2n1
InChIInChI=1S/C26H11F12N5/c27-23(28,29)15-10-17(25(33,34)35)39-21-13(15)6-8-19(41-21)43(12-4-2-1-3-5-12)20-9-7-14-16(24(30,31)32)11-18(26(36,37)38)40-22(14)42-20/h1-11H
InChIKeyOJAPUOCEIURUCP-UHFFFAOYSA-N
XLogP9.12
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.39
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine 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

5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-amine
CID 2783071
2-Methyl-7-phenyl-1,8-naphthyridine
CID 12431922
2-Methyl-7-m-tolyl-1,8-naphthyridine
CID 44434735
2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-methylphenyl)acetonitrile
CID 5133345
2-(3,5-Difluorophenyl)-7-methyl-1,8-naphthyridine
CID 44434736
7-(4-Phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 2764724
4-N-methyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 15982965
7-(2-fluoro-6-trifluoromethyl-phenyl)-N4-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 15982968
7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-amine
CID 46203864
7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyrimidin-2-yl)-1,8-naphthyridin-4-amine
CID 49863784
N-(5-(trifluoromethyl)pyridin-2-yl)-7-(5-(trifluoromethyl)pyrimidin-4-yl)-1,8-naphthyridin-4-amine
CID 49863827
7-[4-(2-Pyrimidinyl)piperazino]-2,4-bis(trifluoromethyl)[1,8]naphthyridine
CID 2766446

Frequently Asked Questions

What is the IUPAC name of N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The IUPAC name of N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (CID 122203250) is N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine.
What is the SMILES notation for N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The canonical SMILES for N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n3)nc2n1.
What is the InChIKey of N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The InChIKey is OJAPUOCEIURUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H11F12N5/c27-23(28,29)15-10-17(25(33,34)35)39-21-13(15)6-8-19(41-21)43(12-4-2-1-3-5-12)20-9-7-14-16(24(30,31)32)11-18(26(36,37)38)40-22(14)42-20/h1-11H.
What are the key properties of N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine has a molecular weight of 621.39 g/mol, XLogP of 9.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-phenyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is sourced from PubChem (CID 122203250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).