6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H19N5O2 — CID 46964855

IUPAC6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1cnc2cc(C(=O)N(C)Cc3cccc4ncccc34)nn2c1C
InChIInChI=1S/C21H19N5O2/c1-13-17(14(2)27)11-23-20-10-19(24-26(13)20)21(28)25(3)12-15-6-4-8-18-16(15)7-5-9-22-18/h4-11H,12H2,1-3H3
InChIKeyNPYKXEJAJLDVBA-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.06
Rot. Bonds4

About 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46964855) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46964855
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1cnc2cc(C(=O)N(C)Cc3cccc4ncccc34)nn2c1C
InChIInChI=1S/C21H19N5O2/c1-13-17(14(2)27)11-23-20-10-19(24-26(13)20)21(28)25(3)12-15-6-4-8-18-16(15)7-5-9-22-18/h4-11H,12H2,1-3H3
InChIKeyNPYKXEJAJLDVBA-UHFFFAOYSA-N
XLogP3.06
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 46964855) is 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(=O)c1cnc2cc(C(=O)N(C)Cc3cccc4ncccc34)nn2c1C.
What is the InChIKey of 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NPYKXEJAJLDVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-17(14(2)27)11-23-20-10-19(24-26(13)20)21(28)25(3)12-15-6-4-8-18-16(15)7-5-9-22-18/h4-11H,12H2,1-3H3.
What are the key properties of 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46964855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).