7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C16H14N6O2 — CID 16611830

IUPAC7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cn3cnc4c(cnn4C)c3=O)cc(=O)n2c1
InChIInChI=1S/C16H14N6O2/c1-10-3-4-13-19-11(5-14(23)22(13)7-10)8-21-9-17-15-12(16(21)24)6-18-20(15)2/h3-7,9H,8H2,1-2H3
InChIKeyFPUXTQVCOPYUMV-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.49
Rot. Bonds2

About 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16611830) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID16611830
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cn3cnc4c(cnn4C)c3=O)cc(=O)n2c1
InChIInChI=1S/C16H14N6O2/c1-10-3-4-13-19-11(5-14(23)22(13)7-10)8-21-9-17-15-12(16(21)24)6-18-20(15)2/h3-7,9H,8H2,1-2H3
InChIKeyFPUXTQVCOPYUMV-UHFFFAOYSA-N
XLogP0.49
TPSA87.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 16611830) is 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(Cn3cnc4c(cnn4C)c3=O)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FPUXTQVCOPYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-10-3-4-13-19-11(5-14(23)22(13)7-10)8-21-9-17-15-12(16(21)24)6-18-20(15)2/h3-7,9H,8H2,1-2H3.
What are the key properties of 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 322.33 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16611830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).