5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C22H22N6O2S — CID 42472788

IUPAC5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCCc2ccccn2)cnn1-c1ncc(C)c(-c2cccs2)n1
InChIInChI=1S/C22H22N6O2S/c1-15-12-25-22(27-20(15)19-7-5-11-31-19)28-18(14-30-2)17(13-26-28)21(29)24-10-8-16-6-3-4-9-23-16/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,24,29)
InChIKeyYQHVFWKTMMMNFY-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.21
Rot. Bonds8

About 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 42472788) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID42472788
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCCc2ccccn2)cnn1-c1ncc(C)c(-c2cccs2)n1
InChIInChI=1S/C22H22N6O2S/c1-15-12-25-22(27-20(15)19-7-5-11-31-19)28-18(14-30-2)17(13-26-28)21(29)24-10-8-16-6-3-4-9-23-16/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,24,29)
InChIKeyYQHVFWKTMMMNFY-UHFFFAOYSA-N
XLogP3.21
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42363400
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42433017
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 26397581
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-(methoxymethyl)-N-(3-methylsulfanylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 26325196
iodomethyl 3-[[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]propanoate
CID 126711757
[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 42397677
1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide
CID 67391314
5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
CID 24898719
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42238978
2-methyl-N-(2-pyridin-2-ylethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 39897614
1-benzyl-N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 29352915

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 42472788) is 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is COCc1c(C(=O)NCCc2ccccn2)cnn1-c1ncc(C)c(-c2cccs2)n1.
What is the InChIKey of 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is YQHVFWKTMMMNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-15-12-25-22(27-20(15)19-7-5-11-31-19)28-18(14-30-2)17(13-26-28)21(29)24-10-8-16-6-3-4-9-23-16/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,24,29).
What are the key properties of 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 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)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42472788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).