N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine

C18H9F6N5S — CID 11510499

IUPACN-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncsc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C18H9F6N5S/c19-17(20,21)9-1-4-13(26-7-9)28-11-5-6-25-16-10(11)2-3-12(29-16)14-15(18(22,23)24)30-8-27-14/h1-8H,(H,25,26,28,29)
InChIKeyMPRGCUVQJWCKJG-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.93
Rot. Bonds3

About N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine

N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine (PubChem CID 11510499) has the molecular formula C18H9F6N5S and a molecular weight of 441.36 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine
PubChem CID11510499
Molecular FormulaC18H9F6N5S
Molecular Weight441.36 g/mol
Exact Mass441.05
IUPAC NameN-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncsc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C18H9F6N5S/c19-17(20,21)9-1-4-13(26-7-9)28-11-5-6-25-16-10(11)2-3-12(29-16)14-15(18(22,23)24)30-8-27-14/h1-8H,(H,25,26,28,29)
InChIKeyMPRGCUVQJWCKJG-UHFFFAOYSA-N
XLogP5.93
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine?
The IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine (CID 11510499) is N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine?
The canonical SMILES for N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine is FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncsc4C(F)(F)F)ccc23)nc1.
What is the InChIKey of N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine?
The InChIKey is MPRGCUVQJWCKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F6N5S/c19-17(20,21)9-1-4-13(26-7-9)28-11-5-6-25-16-10(11)2-3-12(29-16)14-15(18(22,23)24)30-8-27-14/h1-8H,(H,25,26,28,29).
What are the key properties of N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine?
N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine has a molecular weight of 441.36 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 11510499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).