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

C24H16ClF3N4O — CID 137438536

IUPAC6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one
SMILESCC(c1c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12)C(F)(F)F
InChIInChI=1S/C24H16ClF3N4O/c1-12(24(26,27)28)19-16-7-8-18(33)30-23(16)31-22(13-5-3-2-4-6-13)20(19)14-9-15-11-29-32-21(15)17(25)10-14/h2-12H,1H3,(H,29,32)(H,30,31,33)
InChIKeyYGNOHFOSXFIYTK-UHFFFAOYSA-N
MW468.87 g/mol
LogP6.45
Rot. Bonds3

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

6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438536) 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-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one
PubChem CID137438536
Molecular FormulaC24H16ClF3N4O
Molecular Weight468.87 g/mol
Exact Mass468.10
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one
SMILESCC(c1c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12)C(F)(F)F
InChIInChI=1S/C24H16ClF3N4O/c1-12(24(26,27)28)19-16-7-8-18(33)30-23(16)31-22(13-5-3-2-4-6-13)20(19)14-9-15-11-29-32-21(15)17(25)10-14/h2-12H,1H3,(H,29,32)(H,30,31,33)
InChIKeyYGNOHFOSXFIYTK-UHFFFAOYSA-N
XLogP6.45
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.87
LogP ≤ 56.45
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-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one (CID 137438536) is 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one is CC(c1c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc2[nH]c(=O)ccc12)C(F)(F)F.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is YGNOHFOSXFIYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N4O/c1-12(24(26,27)28)19-16-7-8-18(33)30-23(16)31-22(13-5-3-2-4-6-13)20(19)14-9-15-11-29-32-21(15)17(25)10-14/h2-12H,1H3,(H,29,32)(H,30,31,33).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one?
6-(7-chloro-1H-indazol-5-yl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one has a molecular weight of 468.87 g/mol, XLogP of 6.45, 3 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-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).