[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone

C23H20ClFN4O — CID 67740171

IUPAC[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone
SMILESC=C(F)c1ccc(N2CCNC(c3cccc(Cl)c3)C2)nc1C(=O)c1cccnc1
InChIInChI=1S/C23H20ClFN4O/c1-15(25)19-7-8-21(28-22(19)23(30)17-5-3-9-26-13-17)29-11-10-27-20(14-29)16-4-2-6-18(24)12-16/h2-9,12-13,20,27H,1,10-11,14H2
InChIKeyGDOPWTGXTRULBD-UHFFFAOYSA-N
MW422.89 g/mol
LogP4.45
Rot. Bonds5

About [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone

[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone (PubChem CID 67740171) has the molecular formula C23H20ClFN4O and a molecular weight of 422.89 g/mol. Its IUPAC name is [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone
PubChem CID67740171
Molecular FormulaC23H20ClFN4O
Molecular Weight422.89 g/mol
Exact Mass422.13
IUPAC Name[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone
SMILESC=C(F)c1ccc(N2CCNC(c3cccc(Cl)c3)C2)nc1C(=O)c1cccnc1
InChIInChI=1S/C23H20ClFN4O/c1-15(25)19-7-8-21(28-22(19)23(30)17-5-3-9-26-13-17)29-11-10-27-20(14-29)16-4-2-6-18(24)12-16/h2-9,12-13,20,27H,1,10-11,14H2
InChIKeyGDOPWTGXTRULBD-UHFFFAOYSA-N
XLogP4.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

BPKDi
CID 46901383
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725698
(5-Chloro-6-((6-methylpyridin-3-yl)amino)pyridin-3-yl)-((2R)-2-ethylpiperidin-1-yl)methanone
CID 23725699
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone
CID 57690545
4-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)pyridine-2-carboxamide
CID 470763
Pyrazine-Pyridine Biheteroaryl 42
CID 5330370
2-(3-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one
CID 386586
(5-Chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(piperidin-1-yl)methanone
CID 23725445
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-ethylpiperidin-1-yl)methanone
CID 23725537
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-propylpiperidin-1-yl)methanone
CID 23725540

Frequently Asked Questions

What is the IUPAC name of [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone?
The IUPAC name of [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone (CID 67740171) is [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone?
The canonical SMILES for [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone is C=C(F)c1ccc(N2CCNC(c3cccc(Cl)c3)C2)nc1C(=O)c1cccnc1.
What is the InChIKey of [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone?
The InChIKey is GDOPWTGXTRULBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O/c1-15(25)19-7-8-21(28-22(19)23(30)17-5-3-9-26-13-17)29-11-10-27-20(14-29)16-4-2-6-18(24)12-16/h2-9,12-13,20,27H,1,10-11,14H2.
What are the key properties of [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone?
[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone has a molecular weight of 422.89 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 67740171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).