7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

C20H18N6O — CID 134432923

IUPAC7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc(C)cn2nc(-c3cc(=O)n4cc(C#CCN)ccc4n3)cc12
InChIInChI=1S/C20H18N6O/c1-3-15-18-9-17(24-26(18)11-13(2)22-15)16-10-20(27)25-12-14(5-4-8-21)6-7-19(25)23-16/h6-7,9-12H,3,8,21H2,1-2H3
InChIKeyJRAOWLSXDBRNPB-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.59
Rot. Bonds2

About 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 134432923) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID134432923
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc(C)cn2nc(-c3cc(=O)n4cc(C#CCN)ccc4n3)cc12
InChIInChI=1S/C20H18N6O/c1-3-15-18-9-17(24-26(18)11-13(2)22-15)16-10-20(27)25-12-14(5-4-8-21)6-7-19(25)23-16/h6-7,9-12H,3,8,21H2,1-2H3
InChIKeyJRAOWLSXDBRNPB-UHFFFAOYSA-N
XLogP1.59
TPSA90.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (CID 134432923) is 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C#CCN)ccc4n3)cc12.
What is the InChIKey of 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JRAOWLSXDBRNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-3-15-18-9-17(24-26(18)11-13(2)22-15)16-10-20(27)25-12-14(5-4-8-21)6-7-19(25)23-16/h6-7,9-12H,3,8,21H2,1-2H3.
What are the key properties of 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 358.41 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134432923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).