3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one

C25H25ClF3N3O — CID 46847060

IUPAC3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)nc2)c(=O)c1Cl
InChIInChI=1S/C25H25ClF3N3O/c1-15-22(24(33)23(26)16(2)31-15)19-7-8-21(30-13-19)18-5-3-17(4-6-18)14-32-11-9-20(10-12-32)25(27,28)29/h3-8,13,20H,9-12,14H2,1-2H3,(H,31,33)
InChIKeyDFVZOTXPWATXTP-UHFFFAOYSA-N
MW475.94 g/mol
LogP6.15
Rot. Bonds4

About 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one

3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one (PubChem CID 46847060) has the molecular formula C25H25ClF3N3O and a molecular weight of 475.94 g/mol. Its IUPAC name is 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one
PubChem CID46847060
Molecular FormulaC25H25ClF3N3O
Molecular Weight475.94 g/mol
Exact Mass475.16
IUPAC Name3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)nc2)c(=O)c1Cl
InChIInChI=1S/C25H25ClF3N3O/c1-15-22(24(33)23(26)16(2)31-15)19-7-8-21(30-13-19)18-5-3-17(4-6-18)14-32-11-9-20(10-12-32)25(27,28)29/h3-8,13,20H,9-12,14H2,1-2H3,(H,31,33)
InChIKeyDFVZOTXPWATXTP-UHFFFAOYSA-N
XLogP6.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.94
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529837
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
3-chloro-2,6-dimethyl-N,N-di(propan-2-yl)-5-[4-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]phenyl]pyridine-4-carboxamide
CID 90863457
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82981318
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598
2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one
CID 70989962
6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 71022829
N-[1-[[4-[5-(methylsulfonylmethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 170508722
2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 106993824
3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine
CID 103182448
3-cyclohexyloxy-12-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
CID 58266733
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one?
The IUPAC name of 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one (CID 46847060) is 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)nc2)c(=O)c1Cl.
What is the InChIKey of 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one?
The InChIKey is DFVZOTXPWATXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N3O/c1-15-22(24(33)23(26)16(2)31-15)19-7-8-21(30-13-19)18-5-3-17(4-6-18)14-32-11-9-20(10-12-32)25(27,28)29/h3-8,13,20H,9-12,14H2,1-2H3,(H,31,33).
What are the key properties of 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one?
3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one has a molecular weight of 475.94 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-3-pyridinyl]-1H-pyridin-4-one is sourced from PubChem (CID 46847060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).