2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one

C23H28N6O — CID 155518638

IUPAC2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc(C)cn2nc(C3=CC(=O)N4C=C(C5CCNCC5)C=C(C)C4N3)cc12
InChIInChI=1S/C23H28N6O/c1-4-18-21-10-20(27-29(21)12-15(3)25-18)19-11-22(30)28-13-17(9-14(2)23(28)26-19)16-5-7-24-8-6-16/h9-13,16,23-24,26H,4-8H2,1-3H3
InChIKeyIRGHULCTBPRHPM-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one

2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 155518638) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
PubChem CID155518638
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc(C)cn2nc(C3=CC(=O)N4C=C(C5CCNCC5)C=C(C)C4N3)cc12
InChIInChI=1S/C23H28N6O/c1-4-18-21-10-20(27-29(21)12-15(3)25-18)19-11-22(30)28-13-17(9-14(2)23(28)26-19)16-5-7-24-8-6-16/h9-13,16,23-24,26H,4-8H2,1-3H3
InChIKeyIRGHULCTBPRHPM-UHFFFAOYSA-N
XLogP2.54
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one (CID 155518638) is 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one is CCc1nc(C)cn2nc(C3=CC(=O)N4C=C(C5CCNCC5)C=C(C)C4N3)cc12.
What is the InChIKey of 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IRGHULCTBPRHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-4-18-21-10-20(27-29(21)12-15(3)25-18)19-11-22(30)28-13-17(9-14(2)23(28)26-19)16-5-7-24-8-6-16/h9-13,16,23-24,26H,4-8H2,1-3H3.
What are the key properties of 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 404.52 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperidin-4-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155518638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).