[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C25H32N6O2S — CID 42397677

IUPAC[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCOCc1c(C(=O)N2CCC(N3CCCCC3)CC2)cnn1-c1ncc(C)c(-c2cccs2)n1
InChIInChI=1S/C25H32N6O2S/c1-18-15-26-25(28-23(18)22-7-6-14-34-22)31-21(17-33-2)20(16-27-31)24(32)30-12-8-19(9-13-30)29-10-4-3-5-11-29/h6-7,14-16,19H,3-5,8-13,17H2,1-2H3
InChIKeyRHBCUTQAGHFENY-UHFFFAOYSA-N
MW480.64 g/mol
LogP3.94
Rot. Bonds6

About [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 42397677) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID42397677
Molecular FormulaC25H32N6O2S
Molecular Weight480.64 g/mol
Exact Mass480.23
IUPAC Name[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCOCc1c(C(=O)N2CCC(N3CCCCC3)CC2)cnn1-c1ncc(C)c(-c2cccs2)n1
InChIInChI=1S/C25H32N6O2S/c1-18-15-26-25(28-23(18)22-7-6-14-34-22)31-21(17-33-2)20(16-27-31)24(32)30-12-8-19(9-13-30)29-10-4-3-5-11-29/h6-7,14-16,19H,3-5,8-13,17H2,1-2H3
InChIKeyRHBCUTQAGHFENY-UHFFFAOYSA-N
XLogP3.94
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
CID 118757720
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
[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 25290844
[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45244179
[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 42406160
acetaldehyde;[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 145278478
(4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone
CID 42397311
5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
CID 67391228
5-cyclopropyl-N-(2-hydroxyethyl)-N-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 26341281
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 125169936
5-butyl-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 67390603

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 42397677) is [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is COCc1c(C(=O)N2CCC(N3CCCCC3)CC2)cnn1-c1ncc(C)c(-c2cccs2)n1.
What is the InChIKey of [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is RHBCUTQAGHFENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-18-15-26-25(28-23(18)22-7-6-14-34-22)31-21(17-33-2)20(16-27-31)24(32)30-12-8-19(9-13-30)29-10-4-3-5-11-29/h6-7,14-16,19H,3-5,8-13,17H2,1-2H3.
What are the key properties of [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 480.64 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 42397677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).