4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

C17H24ClN5O — CID 136706500

IUPAC4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCc1nn(C)c(Cl)c1CN1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C17H24ClN5O/c1-4-14-13(17(18)22(3)21-14)10-23-7-5-6-12(9-23)15-8-16(24)20-11(2)19-15/h8,12H,4-7,9-10H2,1-3H3,(H,19,20,24)/t12-/m1/s1
InChIKeyUDEJEIVRPHXOFU-GFCCVEGCSA-N
MW349.87 g/mol
LogP2.41
Rot. Bonds4

About 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136706500) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136706500
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCc1nn(C)c(Cl)c1CN1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C17H24ClN5O/c1-4-14-13(17(18)22(3)21-14)10-23-7-5-6-12(9-23)15-8-16(24)20-11(2)19-15/h8,12H,4-7,9-10H2,1-3H3,(H,19,20,24)/t12-/m1/s1
InChIKeyUDEJEIVRPHXOFU-GFCCVEGCSA-N
XLogP2.41
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318
2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
4-[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136782821
4-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760193
4-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706417
(9aS)-2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56752186
2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782835
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 171915775
1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
CID 136706472
2-methyl-4-[(3S)-1-[(4-pyridin-2-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782782

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136706500) is 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is CCc1nn(C)c(Cl)c1CN1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UDEJEIVRPHXOFU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-4-14-13(17(18)22(3)21-14)10-23-7-5-6-12(9-23)15-8-16(24)20-11(2)19-15/h8,12H,4-7,9-10H2,1-3H3,(H,19,20,24)/t12-/m1/s1.
What are the key properties of 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 349.87 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136706500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).