6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C17H20N6O3 — CID 77081135

IUPAC6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCc1cc2nc(C(=O)N3CCc4c([nH]n(CCO)c4=O)C3)cc(C)n2n1
InChIInChI=1S/C17H20N6O3/c1-10-7-15-18-13(8-11(2)23(15)19-10)17(26)21-4-3-12-14(9-21)20-22(5-6-24)16(12)25/h7-8,20,24H,3-6,9H2,1-2H3
InChIKeyAKPRDMZBKQHMEZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.03
Rot. Bonds3

About 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 77081135) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID77081135
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCc1cc2nc(C(=O)N3CCc4c([nH]n(CCO)c4=O)C3)cc(C)n2n1
InChIInChI=1S/C17H20N6O3/c1-10-7-15-18-13(8-11(2)23(15)19-10)17(26)21-4-3-12-14(9-21)20-22(5-6-24)16(12)25/h7-8,20,24H,3-6,9H2,1-2H3
InChIKeyAKPRDMZBKQHMEZ-UHFFFAOYSA-N
XLogP0.03
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 77081135) is 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is Cc1cc2nc(C(=O)N3CCc4c([nH]n(CCO)c4=O)C3)cc(C)n2n1.
What is the InChIKey of 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is AKPRDMZBKQHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-10-7-15-18-13(8-11(2)23(15)19-10)17(26)21-4-3-12-14(9-21)20-22(5-6-24)16(12)25/h7-8,20,24H,3-6,9H2,1-2H3.
What are the key properties of 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 356.39 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 77081135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).