2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C16H20N4O — CID 139010063

IUPAC2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2ncc(C(=O)N3CC4(CCCC4)C3)c2n1
InChIInChI=1S/C16H20N4O/c1-11-7-12(2)20-14(18-11)13(8-17-20)15(21)19-9-16(10-19)5-3-4-6-16/h7-8H,3-6,9-10H2,1-2H3
InChIKeyBPPZKYFVHXSHNV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.36
Rot. Bonds1

About 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 139010063) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID139010063
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2ncc(C(=O)N3CC4(CCCC4)C3)c2n1
InChIInChI=1S/C16H20N4O/c1-11-7-12(2)20-14(18-11)13(8-17-20)15(21)19-9-16(10-19)5-3-4-6-16/h7-8H,3-6,9-10H2,1-2H3
InChIKeyBPPZKYFVHXSHNV-UHFFFAOYSA-N
XLogP2.36
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-morpholin-4-ylmethanone
CID 17060260
(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 42952771
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680164
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427136
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65453460
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441921
[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 167772642
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 51725471
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441922
3-[(3aR,8aS)-6-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-N-methyl-3-oxopropanamide
CID 171680337
4-[[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 34977953
tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 79496302

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 139010063) is 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1cc(C)n2ncc(C(=O)N3CC4(CCCC4)C3)c2n1.
What is the InChIKey of 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is BPPZKYFVHXSHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-7-12(2)20-14(18-11)13(8-17-20)15(21)19-9-16(10-19)5-3-4-6-16/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 139010063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).