[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

C20H23N5OS — CID 25290844

IUPAC[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1cnc(-n2ncc(C(=O)N3CCC[C@@H](C)C3)c2C)nc1-c1cccs1
InChIInChI=1S/C20H23N5OS/c1-13-6-4-8-24(12-13)19(26)16-11-22-25(15(16)3)20-21-10-14(2)18(23-20)17-7-5-9-27-17/h5,7,9-11,13H,4,6,8,12H2,1-3H3/t13-/m1/s1
InChIKeyDLUJIUAHIOMYFN-CYBMUJFWSA-N
MW381.51 g/mol
LogP3.88
Rot. Bonds3

About [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 25290844) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID25290844
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1cnc(-n2ncc(C(=O)N3CCC[C@@H](C)C3)c2C)nc1-c1cccs1
InChIInChI=1S/C20H23N5OS/c1-13-6-4-8-24(12-13)19(26)16-11-22-25(15(16)3)20-21-10-14(2)18(23-20)17-7-5-9-27-17/h5,7,9-11,13H,4,6,8,12H2,1-3H3/t13-/m1/s1
InChIKeyDLUJIUAHIOMYFN-CYBMUJFWSA-N
XLogP3.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 42406160
(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
CID 118757720
acetaldehyde;[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 145278478
[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45244179
[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 42397677
5-(methoxymethyl)-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42430478
[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 26337979
iodomethyl 3-[[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]propanoate
CID 126711757
5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 26341281
5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 45252572
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42238978
5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42363400

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 25290844) is [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is Cc1cnc(-n2ncc(C(=O)N3CCC[C@@H](C)C3)c2C)nc1-c1cccs1.
What is the InChIKey of [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is DLUJIUAHIOMYFN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-6-4-8-24(12-13)19(26)16-11-22-25(15(16)3)20-21-10-14(2)18(23-20)17-7-5-9-27-17/h5,7,9-11,13H,4,6,8,12H2,1-3H3/t13-/m1/s1.
What are the key properties of [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 381.51 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 25290844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).