1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide

C22H25N7O3S — CID 67391314

IUPAC1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide
SMILESCCc1cnc(-n2ncc(C(=O)NCc3c(CO)ncn3C)c2COC)nc1-c1cccs1
InChIInChI=1S/C22H25N7O3S/c1-4-14-8-24-22(27-20(14)19-6-5-7-33-19)29-18(12-32-3)15(9-26-29)21(31)23-10-17-16(11-30)25-13-28(17)2/h5-9,13,30H,4,10-12H2,1-3H3,(H,23,31)
InChIKeyNZCYTWZRSZPSDI-UHFFFAOYSA-N
MW467.56 g/mol
LogP2.26
Rot. Bonds9

About 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide

1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide (PubChem CID 67391314) has the molecular formula C22H25N7O3S and a molecular weight of 467.56 g/mol. Its IUPAC name is 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide
PubChem CID67391314
Molecular FormulaC22H25N7O3S
Molecular Weight467.56 g/mol
Exact Mass467.17
IUPAC Name1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide
SMILESCCc1cnc(-n2ncc(C(=O)NCc3c(CO)ncn3C)c2COC)nc1-c1cccs1
InChIInChI=1S/C22H25N7O3S/c1-4-14-8-24-22(27-20(14)19-6-5-7-33-19)29-18(12-32-3)15(9-26-29)21(31)23-10-17-16(11-30)25-13-28(17)2/h5-9,13,30H,4,10-12H2,1-3H3,(H,23,31)
InChIKeyNZCYTWZRSZPSDI-UHFFFAOYSA-N
XLogP2.26
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42472788
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-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42189410
5-(methoxymethyl)-N-(3-methylsulfanylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 26325196
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42238978
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
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 125169936
5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42363400
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42440166
[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 42397677
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 118756047

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide (CID 67391314) is 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide is CCc1cnc(-n2ncc(C(=O)NCc3c(CO)ncn3C)c2COC)nc1-c1cccs1.
What is the InChIKey of 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide?
The InChIKey is NZCYTWZRSZPSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3S/c1-4-14-8-24-22(27-20(14)19-6-5-7-33-19)29-18(12-32-3)15(9-26-29)21(31)23-10-17-16(11-30)25-13-28(17)2/h5-9,13,30H,4,10-12H2,1-3H3,(H,23,31).
What are the key properties of 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide?
1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide has a molecular weight of 467.56 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[[5-(hydroxymethyl)-3-methylimidazol-4-yl]methyl]-5-(methoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 67391314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).