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

C23H22N6O2 — CID 42397071

IUPAC1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCc3ccccn3)c2C)n1
InChIInChI=1S/C23H22N6O2/c1-16-19(22(30)25-13-10-17-7-5-6-12-24-17)15-27-29(16)23-26-14-11-20(28-23)18-8-3-4-9-21(18)31-2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,25,30)
InChIKeyUKMQFOIWUFFAMM-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.01
Rot. Bonds7

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

1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 42397071) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID42397071
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCc3ccccn3)c2C)n1
InChIInChI=1S/C23H22N6O2/c1-16-19(22(30)25-13-10-17-7-5-6-12-24-17)15-27-29(16)23-26-14-11-20(28-23)18-8-3-4-9-21(18)31-2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,25,30)
InChIKeyUKMQFOIWUFFAMM-UHFFFAOYSA-N
XLogP3.01
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

HCAR2 agonist 1
CID 25101223
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CID 71288530
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
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US10774086, Example 24
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7-(difluoromethyl)-N-(2-methoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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Pyrazolo[1,5-b]pyridazine deriv. 42
CID 6539384
N-(3-methoxyphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
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Pyrimidine-4-carboxamide, 73
CID 44520950
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Pyrimidine-4-carboxamide, 74
CID 44520963

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 42397071) is 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCc3ccccn3)c2C)n1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is UKMQFOIWUFFAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-19(22(30)25-13-10-17-7-5-6-12-24-17)15-27-29(16)23-26-14-11-20(28-23)18-8-3-4-9-21(18)31-2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,25,30).
What are the key properties of 1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.01, 7 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-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42397071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).