3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C21H20N6O3 — CID 110214613

IUPAC3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2[nH]c(C3CCCN(C(=O)c4cnc5ccccn5c4=O)C3)cc2n1
InChIInChI=1S/C21H20N6O3/c1-13-9-19(28)27-18(23-13)10-16(24-27)14-5-4-7-25(12-14)20(29)15-11-22-17-6-2-3-8-26(17)21(15)30/h2-3,6,8-11,14,24H,4-5,7,12H2,1H3
InChIKeyPZADILVCZYEJBL-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.36
Rot. Bonds2

About 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 110214613) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID110214613
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2[nH]c(C3CCCN(C(=O)c4cnc5ccccn5c4=O)C3)cc2n1
InChIInChI=1S/C21H20N6O3/c1-13-9-19(28)27-18(23-13)10-16(24-27)14-5-4-7-25(12-14)20(29)15-11-22-17-6-2-3-8-26(17)21(15)30/h2-3,6,8-11,14,24H,4-5,7,12H2,1H3
InChIKeyPZADILVCZYEJBL-UHFFFAOYSA-N
XLogP1.36
TPSA104.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 110214613) is 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2[nH]c(C3CCCN(C(=O)c4cnc5ccccn5c4=O)C3)cc2n1.
What is the InChIKey of 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PZADILVCZYEJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-13-9-19(28)27-18(23-13)10-16(24-27)14-5-4-7-25(12-14)20(29)15-11-22-17-6-2-3-8-26(17)21(15)30/h2-3,6,8-11,14,24H,4-5,7,12H2,1H3.
What are the key properties of 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 404.43 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 110214613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).