1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C20H29N5O — CID 124996798

IUPAC1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCn1nccc1-c1cc([C@H]2CCCCN2C(=O)C(C)(C)C)nc(C)n1
InChIInChI=1S/C20H29N5O/c1-6-25-18(10-11-21-25)16-13-15(22-14(2)23-16)17-9-7-8-12-24(17)19(26)20(3,4)5/h10-11,13,17H,6-9,12H2,1-5H3/t17-/m1/s1
InChIKeyQVUYFBNSMZRUDD-QGZVFWFLSA-N
MW355.49 g/mol
LogP3.77
Rot. Bonds3

About 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 124996798) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID124996798
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCn1nccc1-c1cc([C@H]2CCCCN2C(=O)C(C)(C)C)nc(C)n1
InChIInChI=1S/C20H29N5O/c1-6-25-18(10-11-21-25)16-13-15(22-14(2)23-16)17-9-7-8-12-24(17)19(26)20(3,4)5/h10-11,13,17H,6-9,12H2,1-5H3/t17-/m1/s1
InChIKeyQVUYFBNSMZRUDD-QGZVFWFLSA-N
XLogP3.77
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 125006640
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187
5-[6-[1-(2,2-dimethylpropanoyl)piperidin-2-yl]-2-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110120507
2-[6-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-4-fluorobenzoic acid
CID 125026091
4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
CID 125012149
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002852
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002851
2,2-dimethyl-1-[(3R)-3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 124947365
1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 125000897
1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124970677
2-methyl-4-[(2R)-1-methylpiperidin-2-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124994880
2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 124996798) is 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CCn1nccc1-c1cc([C@H]2CCCCN2C(=O)C(C)(C)C)nc(C)n1.
What is the InChIKey of 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is QVUYFBNSMZRUDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O/c1-6-25-18(10-11-21-25)16-13-15(22-14(2)23-16)17-9-7-8-12-24(17)19(26)20(3,4)5/h10-11,13,17H,6-9,12H2,1-5H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 355.49 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 124996798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).