[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone

C23H27N5O3 — CID 45166845

IUPAC[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOCc1c(C(=O)N2CCCCC2C)cnn1-c1nccc(-c2ccccc2OC)n1
InChIInChI=1S/C23H27N5O3/c1-16-8-6-7-13-27(16)22(29)18-14-25-28(20(18)15-30-2)23-24-12-11-19(26-23)17-9-4-5-10-21(17)31-3/h4-5,9-12,14,16H,6-8,13,15H2,1-3H3
InChIKeyQJSSHMKIVKOKPA-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.50
Rot. Bonds6

About [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone

[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 45166845) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID45166845
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOCc1c(C(=O)N2CCCCC2C)cnn1-c1nccc(-c2ccccc2OC)n1
InChIInChI=1S/C23H27N5O3/c1-16-8-6-7-13-27(16)22(29)18-14-25-28(20(18)15-30-2)23-24-12-11-19(26-23)17-9-4-5-10-21(17)31-3/h4-5,9-12,14,16H,6-8,13,15H2,1-3H3
InChIKeyQJSSHMKIVKOKPA-UHFFFAOYSA-N
XLogP3.50
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45230539
[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 26342975
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 26399593
[3-(diethylamino)pyrrolidin-1-yl]-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45240739
N-(furan-2-ylmethyl)-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26340828
ethyl 3-[[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate
CID 26337146
[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 26404737
5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26345059
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45167259
5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 42472887
[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45244179
(4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone
CID 42397311

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 45166845) is [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone is COCc1c(C(=O)N2CCCCC2C)cnn1-c1nccc(-c2ccccc2OC)n1.
What is the InChIKey of [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is QJSSHMKIVKOKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16-8-6-7-13-27(16)22(29)18-14-25-28(20(18)15-30-2)23-24-12-11-19(26-23)17-9-4-5-10-21(17)31-3/h4-5,9-12,14,16H,6-8,13,15H2,1-3H3.
What are the key properties of [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 421.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 45166845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).