1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone

C16H21N5O — CID 7692472

IUPAC1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cc(N3CCCC[C@@H]3C)ncn2)c1C
InChIInChI=1S/C16H21N5O/c1-11-6-4-5-7-20(11)15-8-16(18-10-17-15)21-12(2)14(9-19-21)13(3)22/h8-11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyNDTSREVFNOTUEB-NSHDSACASA-N
MW299.38 g/mol
LogP2.55
Rot. Bonds3

About 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone

1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone (PubChem CID 7692472) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone
PubChem CID7692472
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cc(N3CCCC[C@@H]3C)ncn2)c1C
InChIInChI=1S/C16H21N5O/c1-11-6-4-5-7-20(11)15-8-16(18-10-17-15)21-12(2)14(9-19-21)13(3)22/h8-11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyNDTSREVFNOTUEB-NSHDSACASA-N
XLogP2.55
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4899176
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 66520649
6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80835319
N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102212
N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389198
1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
CID 15944231
5-methyl-2-(2-methylpiperidin-1-yl)pyridin-4-amine
CID 83265979
N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039
5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 167919180
N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093333

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone (CID 7692472) is 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2cc(N3CCCC[C@@H]3C)ncn2)c1C.
What is the InChIKey of 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone?
The InChIKey is NDTSREVFNOTUEB-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-6-4-5-7-20(11)15-8-16(18-10-17-15)21-12(2)14(9-19-21)13(3)22/h8-11H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone?
1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone has a molecular weight of 299.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 7692472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).