1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one

C23H13ClF4N4OS — CID 177048387

IUPAC1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one
SMILESCc1cc2c(nc1C)c(=O)c(-c1nc3cnc(C(F)(F)F)cc3s1)cn2-c1ccc(Cl)cc1F
InChIInChI=1S/C23H13ClF4N4OS/c1-10-5-17-20(30-11(10)2)21(33)13(9-32(17)16-4-3-12(24)6-14(16)25)22-31-15-8-29-19(23(26,27)28)7-18(15)34-22/h3-9H,1-2H3
InChIKeyIAYUYJDPXWAOJT-UHFFFAOYSA-N
MW504.90 g/mol
LogP6.49
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one

1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one (PubChem CID 177048387) has the molecular formula C23H13ClF4N4OS and a molecular weight of 504.90 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one
PubChem CID177048387
Molecular FormulaC23H13ClF4N4OS
Molecular Weight504.90 g/mol
Exact Mass504.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one
SMILESCc1cc2c(nc1C)c(=O)c(-c1nc3cnc(C(F)(F)F)cc3s1)cn2-c1ccc(Cl)cc1F
InChIInChI=1S/C23H13ClF4N4OS/c1-10-5-17-20(30-11(10)2)21(33)13(9-32(17)16-4-3-12(24)6-14(16)25)22-31-15-8-29-19(23(26,27)28)7-18(15)34-22/h3-9H,1-2H3
InChIKeyIAYUYJDPXWAOJT-UHFFFAOYSA-N
XLogP6.49
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.90
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one (CID 177048387) is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one is Cc1cc2c(nc1C)c(=O)c(-c1nc3cnc(C(F)(F)F)cc3s1)cn2-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one?
The InChIKey is IAYUYJDPXWAOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF4N4OS/c1-10-5-17-20(30-11(10)2)21(33)13(9-32(17)16-4-3-12(24)6-14(16)25)22-31-15-8-29-19(23(26,27)28)7-18(15)34-22/h3-9H,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one?
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one has a molecular weight of 504.90 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-3-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1,5-naphthyridin-4-one is sourced from PubChem (CID 177048387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).