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

C18H16N6O3 — CID 92555785

IUPAC5-methyl-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1cc2nc(CNC(=O)c3c(-c4cccnc4)noc3C)cc(=O)n2[nH]1
InChIInChI=1S/C18H16N6O3/c1-10-6-14-21-13(7-15(25)24(14)22-10)9-20-18(26)16-11(2)27-23-17(16)12-4-3-5-19-8-12/h3-8,22H,9H2,1-2H3,(H,20,26)
InChIKeyNFDYYINHDRIMQB-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.62
Rot. Bonds4

About 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

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 (PubChem CID 92555785) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-methyl-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID92555785
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name5-methyl-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1cc2nc(CNC(=O)c3c(-c4cccnc4)noc3C)cc(=O)n2[nH]1
InChIInChI=1S/C18H16N6O3/c1-10-6-14-21-13(7-15(25)24(14)22-10)9-20-18(26)16-11(2)27-23-17(16)12-4-3-5-19-8-12/h3-8,22H,9H2,1-2H3,(H,20,26)
InChIKeyNFDYYINHDRIMQB-UHFFFAOYSA-N
XLogP1.62
TPSA118.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
N-[(2-chloro-1,3-oxazol-4-yl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166371286
N-[(2-ethoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001859
N-(3-ethoxypropyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001838
N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001840
N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166193213
2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 98134851
2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271580
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 92555783
N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001781
3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 1070191

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2nc(CNC(=O)c3c(-c4cccnc4)noc3C)cc(=O)n2[nH]1.
What is the InChIKey of 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?
The InChIKey is NFDYYINHDRIMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-10-6-14-21-13(7-15(25)24(14)22-10)9-20-18(26)16-11(2)27-23-17(16)12-4-3-5-19-8-12/h3-8,22H,9H2,1-2H3,(H,20,26).
What are the key properties of 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?
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 has a molecular weight of 364.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92555785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).