1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide

C24H25N5O3 — CID 110224929

IUPAC1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc2nc(CC(NC(=O)c3c(C)cc(C)n(C)c3=O)c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C24H25N5O3/c1-14-10-16(3)28(4)24(32)22(14)23(31)26-19(17-8-6-5-7-9-17)12-18-13-21(30)29-20(25-18)11-15(2)27-29/h5-11,13,19,27H,12H2,1-4H3,(H,26,31)
InChIKeyQLSZKOGSFNFMKT-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.36
Rot. Bonds5

About 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide

1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide (PubChem CID 110224929) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide
PubChem CID110224929
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc2nc(CC(NC(=O)c3c(C)cc(C)n(C)c3=O)c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C24H25N5O3/c1-14-10-16(3)28(4)24(32)22(14)23(31)26-19(17-8-6-5-7-9-17)12-18-13-21(30)29-20(25-18)11-15(2)27-29/h5-11,13,19,27H,12H2,1-4H3,(H,26,31)
InChIKeyQLSZKOGSFNFMKT-UHFFFAOYSA-N
XLogP2.36
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
CID 92555750
2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
CID 92555757
N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 92555758
N-(2,6-dimethylphenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110857573
1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862650
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24804050
3-tert-butyl-1-methyl-N-[(1S)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]pyrazole-5-carboxamide
CID 136891480
3-tert-butyl-1-methyl-N-[2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]pyrazole-5-carboxamide
CID 136816373
1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 124872713
3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 61032689
3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 136816395
5-methyl-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 92555785

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide (CID 110224929) is 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide is Cc1cc2nc(CC(NC(=O)c3c(C)cc(C)n(C)c3=O)c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is QLSZKOGSFNFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14-10-16(3)28(4)24(32)22(14)23(31)26-19(17-8-6-5-7-9-17)12-18-13-21(30)29-20(25-18)11-15(2)27-29/h5-11,13,19,27H,12H2,1-4H3,(H,26,31).
What are the key properties of 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide?
1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-N-[2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110224929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).