(3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone

C24H29N5O — CID 45190133

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC(c3nc(C)ncc3-c3cccc(C)c3)C2)n(C)n1
InChIInChI=1S/C24H29N5O/c1-5-20-13-22(28(4)27-20)24(30)29-11-7-10-19(15-29)23-21(14-25-17(3)26-23)18-9-6-8-16(2)12-18/h6,8-9,12-14,19H,5,7,10-11,15H2,1-4H3
InChIKeyXRKGLMUVCOWQGU-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.08
Rot. Bonds4

About (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone

(3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 45190133) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID45190133
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC(c3nc(C)ncc3-c3cccc(C)c3)C2)n(C)n1
InChIInChI=1S/C24H29N5O/c1-5-20-13-22(28(4)27-20)24(30)29-11-7-10-19(15-29)23-21(14-25-17(3)26-23)18-9-6-8-16(2)12-18/h6,8-9,12-14,19H,5,7,10-11,15H2,1-4H3
InChIKeyXRKGLMUVCOWQGU-UHFFFAOYSA-N
XLogP4.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 26354732
2,3-dihydro-1,4-benzodioxin-6-yl-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 45186604
[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 42162188
(E)-4-methyl-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]pent-2-en-1-one
CID 45211994
1-[(2S)-2-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 45178854
(5S)-5-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 45189466
[(3R)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 42190336
[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 70767661
(E)-3-(3,5-difluorophenyl)-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]prop-2-en-1-one
CID 45190662
3-(3,4-dimethoxyphenyl)-1-[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 42238811
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
[(3R)-3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 92565297

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 45190133) is (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCCC(c3nc(C)ncc3-c3cccc(C)c3)C2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is XRKGLMUVCOWQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-5-20-13-22(28(4)27-20)24(30)29-11-7-10-19(15-29)23-21(14-25-17(3)26-23)18-9-6-8-16(2)12-18/h6,8-9,12-14,19H,5,7,10-11,15H2,1-4H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
(3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 403.53 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 45190133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).