8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one

C24H19ClF3N5O — CID 139552452

IUPAC8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
SMILESCN1CNc2ccc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)cc21
InChIInChI=1S/C24H19ClF3N5O/c1-32-13-30-18-8-7-17(10-19(18)32)33-11-15-4-9-20(29-12-24(26,27)28)31-22(15)21(23(33)34)14-2-5-16(25)6-3-14/h2-11,30H,12-13H2,1H3,(H,29,31)
InChIKeyJOSKOVHKTIVWBC-UHFFFAOYSA-N
MW485.90 g/mol
LogP5.50
Rot. Bonds4

About 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one

8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one (PubChem CID 139552452) has the molecular formula C24H19ClF3N5O and a molecular weight of 485.90 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
PubChem CID139552452
Molecular FormulaC24H19ClF3N5O
Molecular Weight485.90 g/mol
Exact Mass485.12
IUPAC Name8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
SMILESCN1CNc2ccc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)cc21
InChIInChI=1S/C24H19ClF3N5O/c1-32-13-30-18-8-7-17(10-19(18)32)33-11-15-4-9-20(29-12-24(26,27)28)31-22(15)21(23(33)34)14-2-5-16(25)6-3-14/h2-11,30H,12-13H2,1H3,(H,29,31)
InChIKeyJOSKOVHKTIVWBC-UHFFFAOYSA-N
XLogP5.50
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.90
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4-chlorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 155674849
8-(4-chlorophenyl)-6-[2-[2-(dimethylamino)ethyl]indazol-5-yl]-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 155674881
8-(4-methoxyphenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139552088
1-(4-chlorophenyl)-3-(2,3-dimethylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-1,8-naphthyridin-2-one
CID 166988263
8-(4-chlorophenyl)-2-(2,2-difluorobutylamino)-6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[4,3-d]pyrimidin-7-one
CID 139551919
8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
CID 139551966
8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139552393
6-(1,3-benzothiazol-6-yl)-8-(4-cyclopropylphenyl)-2-(2,2-difluoropropylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139552354
8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 155347843
8-(4-chlorophenyl)-6-[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]-2-(2,2,2-trifluoroethylamino)pteridin-7-one
CID 166523743
6-[4-amino-3-(methyliminomethyl)phenyl]-8-[4-(1,1-difluoroethoxy)phenyl]-2-(ethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139552360
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096075

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one (CID 139552452) is 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one is CN1CNc2ccc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(Cl)cc4)c3=O)cc21.
What is the InChIKey of 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
The InChIKey is JOSKOVHKTIVWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O/c1-32-13-30-18-8-7-17(10-19(18)32)33-11-15-4-9-20(29-12-24(26,27)28)31-22(15)21(23(33)34)14-2-5-16(25)6-3-14/h2-11,30H,12-13H2,1H3,(H,29,31).
What are the key properties of 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one has a molecular weight of 485.90 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-6-(3-methyl-1,2-dihydrobenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one is sourced from PubChem (CID 139552452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).