2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole

C23H17F6N5S — CID 10164447

IUPAC2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CCC2
InChIInChI=1S/C23H17F6N5S/c1-13-11-19(34-9-6-17(32-34)21-30-7-10-35-21)15-3-2-8-33(20(15)31-13)18-5-4-14(22(24,25)26)12-16(18)23(27,28)29/h4-7,9-12H,2-3,8H2,1H3
InChIKeyJYNDEXCIODLBHK-UHFFFAOYSA-N
MW509.48 g/mol
LogP6.82
Rot. Bonds3

About 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole

2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole (PubChem CID 10164447) has the molecular formula C23H17F6N5S and a molecular weight of 509.48 g/mol. Its IUPAC name is 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
PubChem CID10164447
Molecular FormulaC23H17F6N5S
Molecular Weight509.48 g/mol
Exact Mass509.11
IUPAC Name2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CCC2
InChIInChI=1S/C23H17F6N5S/c1-13-11-19(34-9-6-17(32-34)21-30-7-10-35-21)15-3-2-8-33(20(15)31-13)18-5-4-14(22(24,25)26)12-16(18)23(27,28)29/h4-7,9-12H,2-3,8H2,1H3
InChIKeyJYNDEXCIODLBHK-UHFFFAOYSA-N
XLogP6.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.48
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole (CID 10164447) is 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole is Cc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CCC2.
What is the InChIKey of 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The InChIKey is JYNDEXCIODLBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N5S/c1-13-11-19(34-9-6-17(32-34)21-30-7-10-35-21)15-3-2-8-33(20(15)31-13)18-5-4-14(22(24,25)26)12-16(18)23(27,28)29/h4-7,9-12H,2-3,8H2,1H3.
What are the key properties of 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole has a molecular weight of 509.48 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[8-[2,4-bis(trifluoromethyl)phenyl]-2-methyl-6,7-dihydro-5H-1,8-naphthyridin-4-yl]pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 10164447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).