3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one

C27H26Cl2FN3O2 — CID 118430845

IUPAC3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccc(Cl)c(Nc2c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cn(C3CC3)c(=O)c2Cl)c1
InChIInChI=1S/C27H26Cl2FN3O2/c1-16-2-9-22(28)23(14-16)31-25-21(15-33(20-7-8-20)27(35)24(25)29)26(34)32-12-10-18(11-13-32)17-3-5-19(30)6-4-17/h2-6,9,14-15,18,20,31H,7-8,10-13H2,1H3
InChIKeyBRYAJSWXECIOGT-UHFFFAOYSA-N
MW514.43 g/mol
LogP6.70
Rot. Bonds5

About 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one

3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 118430845) has the molecular formula C27H26Cl2FN3O2 and a molecular weight of 514.43 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one
PubChem CID118430845
Molecular FormulaC27H26Cl2FN3O2
Molecular Weight514.43 g/mol
Exact Mass513.14
IUPAC Name3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccc(Cl)c(Nc2c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cn(C3CC3)c(=O)c2Cl)c1
InChIInChI=1S/C27H26Cl2FN3O2/c1-16-2-9-22(28)23(14-16)31-25-21(15-33(20-7-8-20)27(35)24(25)29)26(34)32-12-10-18(11-13-32)17-3-5-19(30)6-4-17/h2-6,9,14-15,18,20,31H,7-8,10-13H2,1H3
InChIKeyBRYAJSWXECIOGT-UHFFFAOYSA-N
XLogP6.70
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.43
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118430946
[4-(2-chloro-5-fluoroanilino)-5-methyl-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412235
[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217
3-chloro-4-(4-ethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118431005
4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile
CID 118430978
5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile
CID 118430909
3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118431051
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-4-[(1-methylindazol-6-yl)amino]pyridin-2-one
CID 118431008
3-chloro-4-(5-chloro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 118430934
4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412903
[4-(4-chloro-2-methylanilino)-5-methyl-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412266
[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412213

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one (CID 118430845) is 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one is Cc1ccc(Cl)c(Nc2c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cn(C3CC3)c(=O)c2Cl)c1.
What is the InChIKey of 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is BRYAJSWXECIOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2FN3O2/c1-16-2-9-22(28)23(14-16)31-25-21(15-33(20-7-8-20)27(35)24(25)29)26(34)32-12-10-18(11-13-32)17-3-5-19(30)6-4-17/h2-6,9,14-15,18,20,31H,7-8,10-13H2,1H3.
What are the key properties of 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one?
3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 514.43 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 118430845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).