N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine

C25H19F3N4 — CID 142125698

IUPACN-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine
SMILESCCC1N=C(Nc2nc(-c3ccccc3C(F)(F)F)cc3ncccc23)c2ccccc21
InChIInChI=1S/C25H19F3N4/c1-2-20-15-8-3-4-9-16(15)23(30-20)32-24-18-11-7-13-29-21(18)14-22(31-24)17-10-5-6-12-19(17)25(26,27)28/h3-14,20H,2H2,1H3,(H,30,31,32)
InChIKeyLZEWHKDSQLMQNX-UHFFFAOYSA-N
MW432.45 g/mol
LogP6.64
Rot. Bonds3

About N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine

N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine (PubChem CID 142125698) has the molecular formula C25H19F3N4 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine.

Molecular Properties

Compound NameN-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine
PubChem CID142125698
Molecular FormulaC25H19F3N4
Molecular Weight432.45 g/mol
Exact Mass432.16
IUPAC NameN-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine
SMILESCCC1N=C(Nc2nc(-c3ccccc3C(F)(F)F)cc3ncccc23)c2ccccc21
InChIInChI=1S/C25H19F3N4/c1-2-20-15-8-3-4-9-16(15)23(30-20)32-24-18-11-7-13-29-21(18)14-22(31-24)17-10-5-6-12-19(17)25(26,27)28/h3-14,20H,2H2,1H3,(H,30,31,32)
InChIKeyLZEWHKDSQLMQNX-UHFFFAOYSA-N
XLogP6.64
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-3H-isoindol-1-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142126258
3-ethyl-N-[4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3H-isoindol-1-amine
CID 142127468
N-(3-ethyl-6-fluoro-3H-isoindol-1-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162548998
N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142126102
(1Z,3E)-1-N'-ethyl-4-N'-(3-ethyl-3H-isoindol-1-yl)-2-[2-(trifluoromethyl)phenyl]buta-1,3-diene-1,1,4,4-tetramine
CID 162578294
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine;vanadium
CID 159535152
2-[4-[(3-ethyl-4,6-difluoro-3H-isoindol-1-yl)amino]quinazolin-2-yl]benzonitrile
CID 142126207
2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
CID 142126708
N-(3-ethyl-4-fluoro-3H-isoindol-1-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 142128188
3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 71193142
N-(9-ethyl-3-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)-3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 162578259
2-(ethylamino)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 62197448

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine?
The IUPAC name of N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine (CID 142125698) is N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine.
What is the SMILES notation for N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine?
The canonical SMILES for N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine is CCC1N=C(Nc2nc(-c3ccccc3C(F)(F)F)cc3ncccc23)c2ccccc21.
What is the InChIKey of N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine?
The InChIKey is LZEWHKDSQLMQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4/c1-2-20-15-8-3-4-9-16(15)23(30-20)32-24-18-11-7-13-29-21(18)14-22(31-24)17-10-5-6-12-19(17)25(26,27)28/h3-14,20H,2H2,1H3,(H,30,31,32).
What are the key properties of N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine?
N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine has a molecular weight of 432.45 g/mol, XLogP of 6.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-3H-isoindol-1-yl)-7-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine is sourced from PubChem (CID 142125698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).