N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

C20H22N4O4 — CID 170507041

IUPACN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C)n2nc(NC(=O)c3c(C)cc(C4CCOCC4)oc3=O)cc2n1
InChIInChI=1S/C20H22N4O4/c1-11-8-15(14-4-6-27-7-5-14)28-20(26)18(11)19(25)22-16-10-17-21-12(2)9-13(3)24(17)23-16/h8-10,14H,4-7H2,1-3H3,(H,22,23,25)
InChIKeyVRIZUJCLQUSNEH-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.75
Rot. Bonds3

About N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (PubChem CID 170507041) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
PubChem CID170507041
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C)n2nc(NC(=O)c3c(C)cc(C4CCOCC4)oc3=O)cc2n1
InChIInChI=1S/C20H22N4O4/c1-11-8-15(14-4-6-27-7-5-14)28-20(26)18(11)19(25)22-16-10-17-21-12(2)9-13(3)24(17)23-16/h8-10,14H,4-7H2,1-3H3,(H,22,23,25)
InChIKeyVRIZUJCLQUSNEH-UHFFFAOYSA-N
XLogP2.75
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170506338
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505934
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172666834
4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
CID 170511443
4-methyl-2-oxo-6-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyran-3-carboxamide
CID 170510419
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824
4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
CID 170509325
4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170510231
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
CID 170508114
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
CID 170513085

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (CID 170507041) is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The canonical SMILES for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is Cc1cc(C)n2nc(NC(=O)c3c(C)cc(C4CCOCC4)oc3=O)cc2n1.
What is the InChIKey of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The InChIKey is VRIZUJCLQUSNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-11-8-15(14-4-6-27-7-5-14)28-20(26)18(11)19(25)22-16-10-17-21-12(2)9-13(3)24(17)23-16/h8-10,14H,4-7H2,1-3H3,(H,22,23,25).
What are the key properties of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170507041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).