7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H26N6O2 — CID 42957774

IUPAC7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCN(Cc4nc(C(C)C)no4)CC3)cc(=O)n2c1
InChIInChI=1S/C20H26N6O2/c1-14(2)20-22-18(28-23-20)13-25-8-6-24(7-9-25)12-16-10-19(27)26-11-15(3)4-5-17(26)21-16/h4-5,10-11,14H,6-9,12-13H2,1-3H3
InChIKeyQCKSXXIQDSFNBQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.83
Rot. Bonds5

About 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42957774) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42957774
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCN(Cc4nc(C(C)C)no4)CC3)cc(=O)n2c1
InChIInChI=1S/C20H26N6O2/c1-14(2)20-22-18(28-23-20)13-25-8-6-24(7-9-25)12-16-10-19(27)26-11-15(3)4-5-17(26)21-16/h4-5,10-11,14H,6-9,12-13H2,1-3H3
InChIKeyQCKSXXIQDSFNBQ-UHFFFAOYSA-N
XLogP1.83
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42957774) is 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCN(Cc4nc(C(C)C)no4)CC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QCKSXXIQDSFNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14(2)20-22-18(28-23-20)13-25-8-6-24(7-9-25)12-16-10-19(27)26-11-15(3)4-5-17(26)21-16/h4-5,10-11,14H,6-9,12-13H2,1-3H3.
What are the key properties of 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 382.47 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42957774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).