2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

C22H25N5O2 — CID 136693380

IUPAC2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C22H25N5O2/c1-14-18(22(29)25-15(2)24-14)11-20(28)27-10-6-9-17(13-27)21-19(12-23-26-21)16-7-4-3-5-8-16/h3-5,7-8,12,17H,6,9-11,13H2,1-2H3,(H,23,26)(H,24,25,29)/t17-/m1/s1
InChIKeyGTNQRJOIIYHWOJ-QGZVFWFLSA-N
MW391.48 g/mol
LogP2.73
Rot. Bonds4

About 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136693380) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136693380
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C22H25N5O2/c1-14-18(22(29)25-15(2)24-14)11-20(28)27-10-6-9-17(13-27)21-19(12-23-26-21)16-7-4-3-5-8-16/h3-5,7-8,12,17H,6,9-11,13H2,1-2H3,(H,23,26)(H,24,25,29)/t17-/m1/s1
InChIKeyGTNQRJOIIYHWOJ-QGZVFWFLSA-N
XLogP2.73
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 95216679
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56744023
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56738871
6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 95217243
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95188060
(2-methoxypyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95226344
(3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 42164664

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 136693380) is 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is GTNQRJOIIYHWOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-18(22(29)25-15(2)24-14)11-20(28)27-10-6-9-17(13-27)21-19(12-23-26-21)16-7-4-3-5-8-16/h3-5,7-8,12,17H,6,9-11,13H2,1-2H3,(H,23,26)(H,24,25,29)/t17-/m1/s1.
What are the key properties of 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 391.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136693380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).