6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one

C24H16ClF3N4O — CID 137438638

IUPAC6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc2cc1CCC(F)(F)F
InChIInChI=1S/C24H16ClF3N4O/c25-19-11-15(9-17-12-29-32-21(17)19)18-10-16-8-14(6-7-24(26,27)28)23(33)31-22(16)30-20(18)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,29,32)(H,30,31,33)
InChIKeyCAWSIWGYCWOQBS-UHFFFAOYSA-N
MW468.87 g/mol
LogP6.28
Rot. Bonds4

About 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one

6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438638) has the molecular formula C24H16ClF3N4O and a molecular weight of 468.87 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one
PubChem CID137438638
Molecular FormulaC24H16ClF3N4O
Molecular Weight468.87 g/mol
Exact Mass468.10
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc2cc1CCC(F)(F)F
InChIInChI=1S/C24H16ClF3N4O/c25-19-11-15(9-17-12-29-32-21(17)19)18-10-16-8-14(6-7-24(26,27)28)23(33)31-22(16)30-20(18)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,29,32)(H,30,31,33)
InChIKeyCAWSIWGYCWOQBS-UHFFFAOYSA-N
XLogP6.28
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.87
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one (CID 137438638) is 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)cc2cc1CCC(F)(F)F.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is CAWSIWGYCWOQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N4O/c25-19-11-15(9-17-12-29-32-21(17)19)18-10-16-8-14(6-7-24(26,27)28)23(33)31-22(16)30-20(18)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,29,32)(H,30,31,33).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one?
6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 468.87 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).