6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one

C25H18Cl3N5O — CID 46202018

IUPAC6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one
SMILESCn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C25H18Cl3N5O/c1-32-20-10-11-21(30-24(20)19(13-23(32)34)15-4-3-5-18(27)12-15)25(28,22-14-29-31-33(22)2)16-6-8-17(26)9-7-16/h3-14H,1-2H3/t25-/m1/s1
InChIKeyKIIUBVAFLHOYLY-RUZDIDTESA-N
MW510.81 g/mol
LogP5.57
Rot. Bonds4

About 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one

6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one (PubChem CID 46202018) has the molecular formula C25H18Cl3N5O and a molecular weight of 510.81 g/mol. Its IUPAC name is 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one
PubChem CID46202018
Molecular FormulaC25H18Cl3N5O
Molecular Weight510.81 g/mol
Exact Mass509.06
IUPAC Name6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one
SMILESCn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C25H18Cl3N5O/c1-32-20-10-11-21(30-24(20)19(13-23(32)34)15-4-3-5-18(27)12-15)25(28,22-14-29-31-33(22)2)16-6-8-17(26)9-7-16/h3-14H,1-2H3/t25-/m1/s1
InChIKeyKIIUBVAFLHOYLY-RUZDIDTESA-N
XLogP5.57
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.81
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ML300-based SC inhibitor 28
CID 156027225
ML300-based SC inhibitor 31
CID 156027227
ML300-based SC inhibitor 32
CID 156027228
ML300-based SC inhibitor 33
CID 156027229
ML300-based SC inhibitor 34
CID 156027230
3-[4-[[4-(3-Chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155518832
ML300-based SC inhibitor 29
CID 156027226
(10R,14S)-14-[4-[5-chloro-2-(triazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one
CID 90060618
(10R,14S)-14-[4-[5-chloro-2-(triazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-4-fluoro-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one
CID 90060622
6-Chloro-2-[4-chloro-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 89600201
2-(Benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-[4-(3-pyridyl)phenyl]acetamide
CID 166626248
(2-benzylpiperidin-1-yl)(4-(4-(3,5-dichloropyridin-4-yl)phenyl)-1H-1,2,3-triazol-1-yl)methanone
CID 129201719

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one (CID 46202018) is 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one is Cn1nncc1[C@@](Cl)(c1ccc(Cl)cc1)c1ccc2c(n1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is KIIUBVAFLHOYLY-RUZDIDTESA-N. The full InChI is InChI=1S/C25H18Cl3N5O/c1-32-20-10-11-21(30-24(20)19(13-23(32)34)15-4-3-5-18(27)12-15)25(28,22-14-29-31-33(22)2)16-6-8-17(26)9-7-16/h3-14H,1-2H3/t25-/m1/s1.
What are the key properties of 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one?
6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 510.81 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-chloro-(4-chlorophenyl)-(3-methyltriazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 46202018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).