7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one

C23H26N6O — CID 137374063

IUPAC7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cn3c(=O)cc(-c4ccc5nn(C)cc5c4)nc3c(C)n2)CC1
InChIInChI=1S/C23H26N6O/c1-4-28-9-7-16(8-10-28)21-14-29-22(30)12-20(25-23(29)15(2)24-21)17-5-6-19-18(11-17)13-27(3)26-19/h5-6,11-14,16H,4,7-10H2,1-3H3
InChIKeyNDWMDXFAABFERY-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.15
Rot. Bonds3

About 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one

7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 137374063) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one
PubChem CID137374063
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cn3c(=O)cc(-c4ccc5nn(C)cc5c4)nc3c(C)n2)CC1
InChIInChI=1S/C23H26N6O/c1-4-28-9-7-16(8-10-28)21-14-29-22(30)12-20(25-23(29)15(2)24-21)17-5-6-19-18(11-17)13-27(3)26-19/h5-6,11-14,16H,4,7-10H2,1-3H3
InChIKeyNDWMDXFAABFERY-UHFFFAOYSA-N
XLogP3.15
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one (CID 137374063) is 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one is CCN1CCC(c2cn3c(=O)cc(-c4ccc5nn(C)cc5c4)nc3c(C)n2)CC1.
What is the InChIKey of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is NDWMDXFAABFERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-4-28-9-7-16(8-10-28)21-14-29-22(30)12-20(25-23(29)15(2)24-21)17-5-6-19-18(11-17)13-27(3)26-19/h5-6,11-14,16H,4,7-10H2,1-3H3.
What are the key properties of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one?
7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 402.50 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137374063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).