5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane

C24H27ClN4O2 — CID 142309355

IUPAC5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane
SMILESCC.Cc1ccccc1C(=O)N1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C22H21ClN4O2.C2H6/c1-14-4-2-3-5-17(14)22(29)27-12-8-15(9-13-27)19-18(23)21(28)26-20(25-19)16-6-10-24-11-7-16;1-2/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,25,26,28);1-2H3
InChIKeyPVPUSADCDCXHJU-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.84
Rot. Bonds3

About 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane

5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane (PubChem CID 142309355) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane.

Molecular Properties

Compound Name5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane
PubChem CID142309355
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane
SMILESCC.Cc1ccccc1C(=O)N1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C22H21ClN4O2.C2H6/c1-14-4-2-3-5-17(14)22(29)27-12-8-15(9-13-27)19-18(23)21(28)26-20(25-19)16-6-10-24-11-7-16;1-2/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,25,26,28);1-2H3
InChIKeyPVPUSADCDCXHJU-UHFFFAOYSA-N
XLogP4.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 142309356
4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291420
5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137289020
4-[1-(benzenesulfinyl)piperidin-4-yl]-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 155217234
5-chloro-4-[(2S)-2-(2-hydroxypropan-2-yl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 146521380
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786844
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137291501
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
2-(4-methoxyphenyl)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299270
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane?
The IUPAC name of 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane (CID 142309355) is 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane.
What is the SMILES notation for 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane?
The canonical SMILES for 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane is CC.Cc1ccccc1C(=O)N1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane?
The InChIKey is PVPUSADCDCXHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2.C2H6/c1-14-4-2-3-5-17(14)22(29)27-12-8-15(9-13-27)19-18(23)21(28)26-20(25-19)16-6-10-24-11-7-16;1-2/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,25,26,28);1-2H3.
What are the key properties of 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane?
5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane has a molecular weight of 438.96 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane is sourced from PubChem (CID 142309355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).