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

C24H16ClF3N4O2 — CID 139551979

IUPAC8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(OCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C24H16ClF3N4O2/c1-31-11-16-10-18(7-8-19(16)30-31)32-12-15-4-9-20(34-13-24(26,27)28)29-22(15)21(23(32)33)14-2-5-17(25)6-3-14/h2-12H,13H2,1H3
InChIKeyVNCXJWJZEWVCBN-UHFFFAOYSA-N
MW484.87 g/mol
LogP5.53
Rot. Bonds4

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

8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one (PubChem CID 139551979) has the molecular formula C24H16ClF3N4O2 and a molecular weight of 484.87 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one
PubChem CID139551979
Molecular FormulaC24H16ClF3N4O2
Molecular Weight484.87 g/mol
Exact Mass484.09
IUPAC Name8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(OCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C24H16ClF3N4O2/c1-31-11-16-10-18(7-8-19(16)30-31)32-12-15-4-9-20(34-13-24(26,27)28)29-22(15)21(23(32)33)14-2-5-17(25)6-3-14/h2-12H,13H2,1H3
InChIKeyVNCXJWJZEWVCBN-UHFFFAOYSA-N
XLogP5.53
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.87
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4-Chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-((2,2,2-trifluoroethyl)amino)pyrido[4,3-d]pyrimidin-7(6H)-one
CID 139551841
4-(4-chloro-2-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 52942550
8-(4-Chlorophenyl)-6-(2-methylindazol-5-yl)-2-(3,3,3-trifluoropropyl)-1,6-naphthyridin-7-one
CID 139536240
8-(4-Chlorophenyl)-2-ethoxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
CID 139551907
8-(4-Chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
CID 139552561
4-(4-Chlorophenyl)-2-(2-methylindazol-5-yl)-6-(2,2,2-trifluoroethoxy)pyrido[3,2-c]pyridazin-3-one
CID 153629465
4-(4-Chlorophenyl)-6-(ethylamino)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one
CID 153629484
8-(4-Chlorophenyl)-2-(ethylamino)-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
CID 168282213
8-(4-Chlorophenyl)-2-(2,2-difluoroethoxy)-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
CID 168282275
1-[1-[2-(Butylamino)ethyl]indazol-5-yl]-4-(4-chloro-2-fluorophenyl)pyridin-2-one
CID 68046080
2-Ethoxy-8-[6-(fluoromethyl)-3-pyridinyl]-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
CID 139536258
8-(4-Chlorophenyl)-6-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139551823

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one (CID 139551979) is 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one is Cn1cc2cc(-n3cc4ccc(OCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1.
What is the InChIKey of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one?
The InChIKey is VNCXJWJZEWVCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N4O2/c1-31-11-16-10-18(7-8-19(16)30-31)32-12-15-4-9-20(34-13-24(26,27)28)29-22(15)21(23(32)33)14-2-5-17(25)6-3-14/h2-12H,13H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one?
8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one has a molecular weight of 484.87 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-7-one is sourced from PubChem (CID 139551979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).