5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H15N5O2 — CID 169423109

IUPAC5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1=CC(=O)C2C=C(NC(=O)c3cnn4ccc(C)nc34)C=CC2=N1
InChIInChI=1S/C18H15N5O2/c1-10-5-6-23-17(21-10)14(9-19-23)18(25)22-12-3-4-15-13(8-12)16(24)7-11(2)20-15/h3-9,13H,1-2H3,(H,22,25)
InChIKeyXKGWTYRNHODQMD-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.76
Rot. Bonds2

About 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 169423109) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID169423109
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1=CC(=O)C2C=C(NC(=O)c3cnn4ccc(C)nc34)C=CC2=N1
InChIInChI=1S/C18H15N5O2/c1-10-5-6-23-17(21-10)14(9-19-23)18(25)22-12-3-4-15-13(8-12)16(24)7-11(2)20-15/h3-9,13H,1-2H3,(H,22,25)
InChIKeyXKGWTYRNHODQMD-UHFFFAOYSA-N
XLogP1.76
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 169423109) is 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1=CC(=O)C2C=C(NC(=O)c3cnn4ccc(C)nc34)C=CC2=N1.
What is the InChIKey of 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XKGWTYRNHODQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-10-5-6-23-17(21-10)14(9-19-23)18(25)22-12-3-4-15-13(8-12)16(24)7-11(2)20-15/h3-9,13H,1-2H3,(H,22,25).
What are the key properties of 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-4-oxo-4aH-quinolin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 169423109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).