2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C17H20N6O3 — CID 50983865

IUPAC2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCc1cc(C)n2nc(C(=O)N3CCN4C(=O)CN(C)C(=O)C4C3)cc2n1
InChIInChI=1S/C17H20N6O3/c1-10-6-11(2)23-14(18-10)7-12(19-23)16(25)21-4-5-22-13(8-21)17(26)20(3)9-15(22)24/h6-7,13H,4-5,8-9H2,1-3H3
InChIKeySYXVTBLIDNLLHF-UHFFFAOYSA-N
MW356.39 g/mol
LogP-0.53
Rot. Bonds1

About 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 50983865) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID50983865
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCc1cc(C)n2nc(C(=O)N3CCN4C(=O)CN(C)C(=O)C4C3)cc2n1
InChIInChI=1S/C17H20N6O3/c1-10-6-11(2)23-14(18-10)7-12(19-23)16(25)21-4-5-22-13(8-21)17(26)20(3)9-15(22)24/h6-7,13H,4-5,8-9H2,1-3H3
InChIKeySYXVTBLIDNLLHF-UHFFFAOYSA-N
XLogP-0.53
TPSA91.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Related Compounds

Piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135300269
N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50974143
5,7-dimethyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56752808
(2-Tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
CID 24716889
2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24717009
[5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 2978923
[5,7-Bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](1-pyrrolidinyl)methanone
CID 4775479
(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 92443309
N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 95727518
[4-(5,6-Dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 131918115
7-[5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674326
2-Methyl-7-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674335

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 50983865) is 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is Cc1cc(C)n2nc(C(=O)N3CCN4C(=O)CN(C)C(=O)C4C3)cc2n1.
What is the InChIKey of 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is SYXVTBLIDNLLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-10-6-11(2)23-14(18-10)7-12(19-23)16(25)21-4-5-22-13(8-21)17(26)20(3)9-15(22)24/h6-7,13H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 356.39 g/mol, XLogP of -0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 50983865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).