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

C24H17ClF3N5O — CID 139552561

IUPAC8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C24H17ClF3N5O/c1-32-11-16-10-18(7-8-19(16)31-32)33-12-15-4-9-20(29-13-24(26,27)28)30-22(15)21(23(33)34)14-2-5-17(25)6-3-14/h2-12H,13H2,1H3,(H,29,30)
InChIKeyCOSWZPBKBSZPKZ-UHFFFAOYSA-N
MW483.88 g/mol
LogP5.57
Rot. Bonds4

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

8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one (PubChem CID 139552561) has the molecular formula C24H17ClF3N5O and a molecular weight of 483.88 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
PubChem CID139552561
Molecular FormulaC24H17ClF3N5O
Molecular Weight483.88 g/mol
Exact Mass483.11
IUPAC Name8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C24H17ClF3N5O/c1-32-11-16-10-18(7-8-19(16)31-32)33-12-15-4-9-20(29-13-24(26,27)28)30-22(15)21(23(33)34)14-2-5-17(25)6-3-14/h2-12H,13H2,1H3,(H,29,30)
InChIKeyCOSWZPBKBSZPKZ-UHFFFAOYSA-N
XLogP5.57
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.88
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one (CID 139552561) is 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one is Cn1cc2cc(-n3cc4ccc(NCC(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-trifluoroethylamino)-1,6-naphthyridin-7-one?
The InChIKey is COSWZPBKBSZPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O/c1-32-11-16-10-18(7-8-19(16)31-32)33-12-15-4-9-20(29-13-24(26,27)28)30-22(15)21(23(33)34)14-2-5-17(25)6-3-14/h2-12H,13H2,1H3,(H,29,30).
What are the key properties of 8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one has a molecular weight of 483.88 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 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-trifluoroethylamino)-1,6-naphthyridin-7-one is sourced from PubChem (CID 139552561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).