8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one

C25H18ClF3N4O — CID 139536240

IUPAC8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(CCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C25H18ClF3N4O/c1-32-13-17-12-20(8-9-21(17)31-32)33-14-16-4-7-19(10-11-25(27,28)29)30-23(16)22(24(33)34)15-2-5-18(26)6-3-15/h2-9,12-14H,10-11H2,1H3
InChIKeyMXTGLPNPSPRGMQ-UHFFFAOYSA-N
MW482.89 g/mol
LogP6.09
Rot. Bonds4

About 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one

8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one (PubChem CID 139536240) has the molecular formula C25H18ClF3N4O and a molecular weight of 482.89 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one
PubChem CID139536240
Molecular FormulaC25H18ClF3N4O
Molecular Weight482.89 g/mol
Exact Mass482.11
IUPAC Name8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(CCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C25H18ClF3N4O/c1-32-13-17-12-20(8-9-21(17)31-32)33-14-16-4-7-19(10-11-25(27,28)29)30-23(16)22(24(33)34)15-2-5-18(26)6-3-15/h2-9,12-14H,10-11H2,1H3
InChIKeyMXTGLPNPSPRGMQ-UHFFFAOYSA-N
XLogP6.09
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.89
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one (CID 139536240) is 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one is Cn1cc2cc(-n3cc4ccc(CCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1.
What is the InChIKey of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one?
The InChIKey is MXTGLPNPSPRGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N4O/c1-32-13-17-12-20(8-9-21(17)31-32)33-14-16-4-7-19(10-11-25(27,28)29)30-23(16)22(24(33)34)15-2-5-18(26)6-3-15/h2-9,12-14H,10-11H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one?
8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one has a molecular weight of 482.89 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one is sourced from PubChem (CID 139536240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).