1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C20H25ClN4O — CID 67508229

IUPAC1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1cccnc1-c1cc(N2CCN(C(=O)C(C)(C)C)CC2)ncc1Cl
InChIInChI=1S/C20H25ClN4O/c1-14-6-5-7-22-18(14)15-12-17(23-13-16(15)21)24-8-10-25(11-9-24)19(26)20(2,3)4/h5-7,12-13H,8-11H2,1-4H3
InChIKeySCSAQWDIIRFKGI-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.80
Rot. Bonds2

About 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 67508229) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID67508229
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1cccnc1-c1cc(N2CCN(C(=O)C(C)(C)C)CC2)ncc1Cl
InChIInChI=1S/C20H25ClN4O/c1-14-6-5-7-22-18(14)15-12-17(23-13-16(15)21)24-8-10-25(11-9-24)19(26)20(2,3)4/h5-7,12-13H,8-11H2,1-4H3
InChIKeySCSAQWDIIRFKGI-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470758
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
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
Pyrazine-Pyridine Biheteroaryl 62
CID 5330393
1-(4-{5-[6-Amino-5-(4-chlorophenyl)pyrimidin-4-ylethynyl]pyridin-2-yl}piperazin-1-yl)ethanone
CID 44423528
1-(5-(4-Chlorophenyl)-6-(2-chloropyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576685
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 67508229) is 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)(C)C)CC2)ncc1Cl.
What is the InChIKey of 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SCSAQWDIIRFKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-14-6-5-7-22-18(14)15-12-17(23-13-16(15)21)24-8-10-25(11-9-24)19(26)20(2,3)4/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 372.90 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 67508229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).