N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine

C22H14F3N5 — CID 10158145

IUPACN-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)c2cccnc2n1
InChIInChI=1S/C22H14F3N5/c23-22(24,25)16-9-3-1-6-13(16)18-12-19(15-8-5-11-26-20(15)27-18)28-21-14-7-2-4-10-17(14)29-30-21/h1-12H,(H2,26,27,28,29,30)
InChIKeyNFTSSGQFXRSWKP-UHFFFAOYSA-N
MW405.38 g/mol
LogP5.94
Rot. Bonds3

About N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine

N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine (PubChem CID 10158145) has the molecular formula C22H14F3N5 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine
PubChem CID10158145
Molecular FormulaC22H14F3N5
Molecular Weight405.38 g/mol
Exact Mass405.12
IUPAC NameN-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)c2cccnc2n1
InChIInChI=1S/C22H14F3N5/c23-22(24,25)16-9-3-1-6-13(16)18-12-19(15-8-5-11-26-20(15)27-18)28-21-14-7-2-4-10-17(14)29-30-21/h1-12H,(H2,26,27,28,29,30)
InChIKeyNFTSSGQFXRSWKP-UHFFFAOYSA-N
XLogP5.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.38
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine?
The IUPAC name of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine (CID 10158145) is N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine is FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)c2cccnc2n1.
What is the InChIKey of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine?
The InChIKey is NFTSSGQFXRSWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5/c23-22(24,25)16-9-3-1-6-13(16)18-12-19(15-8-5-11-26-20(15)27-18)28-21-14-7-2-4-10-17(14)29-30-21/h1-12H,(H2,26,27,28,29,30).
What are the key properties of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine?
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine has a molecular weight of 405.38 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 10158145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).