1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

C22H20N6O2 — CID 42421309

IUPAC1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1ccnc(-n2ncc(C(=O)NCc3ccncc3)c2C)n1
InChIInChI=1S/C22H20N6O2/c1-15-18(21(29)25-13-16-7-10-23-11-8-16)14-26-28(15)22-24-12-9-19(27-22)17-5-3-4-6-20(17)30-2/h3-12,14H,13H2,1-2H3,(H,25,29)
InChIKeyMJWIYLSKSDIJQL-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.97
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42421309) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID42421309
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1ccnc(-n2ncc(C(=O)NCc3ccncc3)c2C)n1
InChIInChI=1S/C22H20N6O2/c1-15-18(21(29)25-13-16-7-10-23-11-8-16)14-26-28(15)22-24-12-9-19(27-22)17-5-3-4-6-20(17)30-2/h3-12,14H,13H2,1-2H3,(H,25,29)
InChIKeyMJWIYLSKSDIJQL-UHFFFAOYSA-N
XLogP2.97
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)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

HCAR2 agonist 1
CID 25101223
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378960
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497
US10774086, Example 24
CID 139465947
7-(difluoromethyl)-N-(2-methoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975142
N-(3-methoxyphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644890
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 78
CID 44520965
Pyrimidine-4-carboxamide, 82
CID 44520967

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (CID 42421309) is 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCc3ccncc3)c2C)n1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is MJWIYLSKSDIJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-15-18(21(29)25-13-16-7-10-23-11-8-16)14-26-28(15)22-24-12-9-19(27-22)17-5-3-4-6-20(17)30-2/h3-12,14H,13H2,1-2H3,(H,25,29).
What are the key properties of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42421309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).