1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

C25H24Cl2F3N3O2 — CID 160545733

IUPAC1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3cc4cc(C(F)(F)F)cc(C)c4n3)c2Cl)CC1
InChIInChI=1S/C25H24Cl2F3N3O2/c1-14-9-18(25(28,29)30)11-17-12-33(31-23(14)17)13-20-21(26)4-3-19(22(20)27)24(35)32-7-5-16(6-8-32)10-15(2)34/h3-4,9,11-12,16H,5-8,10,13H2,1-2H3
InChIKeySDSASVDDJLZGSG-UHFFFAOYSA-N
MW526.39 g/mol
LogP6.55
Rot. Bonds5

About 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 160545733) has the molecular formula C25H24Cl2F3N3O2 and a molecular weight of 526.39 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
PubChem CID160545733
Molecular FormulaC25H24Cl2F3N3O2
Molecular Weight526.39 g/mol
Exact Mass525.12
IUPAC Name1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3cc4cc(C(F)(F)F)cc(C)c4n3)c2Cl)CC1
InChIInChI=1S/C25H24Cl2F3N3O2/c1-14-9-18(25(28,29)30)11-17-12-33(31-23(14)17)13-20-21(26)4-3-19(22(20)27)24(35)32-7-5-16(6-8-32)10-15(2)34/h3-4,9,11-12,16H,5-8,10,13H2,1-2H3
InChIKeySDSASVDDJLZGSG-UHFFFAOYSA-N
XLogP6.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.39
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-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

[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone
CID 158195577
2-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]azetidin-3-yl]acetic acid
CID 163759104
1-[1-[4,6-dichloro-5-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one
CID 159035443
4-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one
CID 160979594
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 160745487
2-[1-[2,4-dichloro-3-[3,8-dimethyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]benzoyl]piperidin-4-yl]acetic acid
CID 154019837
3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one
CID 158667689
1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone
CID 161446437
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylpyrrolidin-1-yl)methanone
CID 160868988
1-[[2,6-dichloro-3-[4-(2-hydroxyprop-2-enyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylindole-5-carbonitrile
CID 160900415
1-[1-[2,4-dichloro-3-(5-cyclopropyl-7-fluoroindole-1-carbonyl)benzoyl]piperidin-4-yl]propan-2-one
CID 159035441
1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone
CID 158943657

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
The IUPAC name of 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (CID 160545733) is 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
The canonical SMILES for 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3cc4cc(C(F)(F)F)cc(C)c4n3)c2Cl)CC1.
What is the InChIKey of 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
The InChIKey is SDSASVDDJLZGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2F3N3O2/c1-14-9-18(25(28,29)30)11-17-12-33(31-23(14)17)13-20-21(26)4-3-19(22(20)27)24(35)32-7-5-16(6-8-32)10-15(2)34/h3-4,9,11-12,16H,5-8,10,13H2,1-2H3.
What are the key properties of 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 526.39 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 160545733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).