2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

C21H21N5O2 — CID 53023326

IUPAC2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)NCc1cccnc1
InChIInChI=1S/C21H21N5O2/c1-15-5-2-3-7-17(15)18-11-20-25(21(28)8-10-26(20)24-18)14-19(27)23-13-16-6-4-9-22-12-16/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,23,27)
InChIKeySWOPOJHBTSZRSK-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.31
Rot. Bonds5

About 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 53023326) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID53023326
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)NCc1cccnc1
InChIInChI=1S/C21H21N5O2/c1-15-5-2-3-7-17(15)18-11-20-25(21(28)8-10-26(20)24-18)14-19(27)23-13-16-6-4-9-22-12-16/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,23,27)
InChIKeySWOPOJHBTSZRSK-UHFFFAOYSA-N
XLogP2.31
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53023350
4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 46349719
2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46349644
4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 20920133
N-methyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 46349694
N-[(4-ethylphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928903
N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928856
(2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 92723479
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 53050936
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53050979
2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 20882774
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 53023326) is 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)NCc1cccnc1.
What is the InChIKey of 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is SWOPOJHBTSZRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15-5-2-3-7-17(15)18-11-20-25(21(28)8-10-26(20)24-18)14-19(27)23-13-16-6-4-9-22-12-16/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,23,27).
What are the key properties of 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 53023326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).