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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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).