1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol

C22H22ClN3O — CID 118443713

IUPAC1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol
SMILESOC(Cc1cncnc1)(c1ccc(-c2ccc(Cl)cc2)cn1)C1CCCC1
InChIInChI=1S/C22H22ClN3O/c23-20-8-5-17(6-9-20)18-7-10-21(26-14-18)22(27,19-3-1-2-4-19)11-16-12-24-15-25-13-16/h5-10,12-15,19,27H,1-4,11H2
InChIKeyOSSZJVNIULCVJR-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.81
Rot. Bonds5

About 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol

1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol (PubChem CID 118443713) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol
PubChem CID118443713
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol
SMILESOC(Cc1cncnc1)(c1ccc(-c2ccc(Cl)cc2)cn1)C1CCCC1
InChIInChI=1S/C22H22ClN3O/c23-20-8-5-17(6-9-20)18-7-10-21(26-14-18)22(27,19-3-1-2-4-19)11-16-12-24-15-25-13-16/h5-10,12-15,19,27H,1-4,11H2
InChIKeyOSSZJVNIULCVJR-UHFFFAOYSA-N
XLogP4.81
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclohexyl-2-pyrimidin-5-ylethanol
CID 118443709
1-[5-(4-chlorophenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443721
2-[5-(4-tert-butylphenyl)-2-pyridinyl]-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol
CID 118443820
1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585853
1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443758
2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
CID 118443761
cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate
CID 91256169
3-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-methylphenoxy]-1-cyclohexyl-1-cyclopropylpropan-1-amine
CID 69057529
5-(4-chlorophenyl)-2-[2-[4-[[(2S)-pyrrolidin-2-yl]methyl]phenyl]ethynyl]pyridine
CID 173162861
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol
CID 19816182
1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83124840

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol (CID 118443713) is 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol is OC(Cc1cncnc1)(c1ccc(-c2ccc(Cl)cc2)cn1)C1CCCC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol?
The InChIKey is OSSZJVNIULCVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-20-8-5-17(6-9-20)18-7-10-21(26-14-18)22(27,19-3-1-2-4-19)11-16-12-24-15-25-13-16/h5-10,12-15,19,27H,1-4,11H2.
What are the key properties of 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol?
1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol has a molecular weight of 379.89 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-pyridinyl]-1-cyclopentyl-2-pyrimidin-5-ylethanol is sourced from PubChem (CID 118443713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).