2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C21H22N6O — CID 123501250

IUPAC2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN(c2ccc3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CCN1
InChIInChI=1S/C21H22N6O/c1-14-11-26(8-7-22-14)17-4-6-20-23-19(10-21(28)27(20)13-17)15-3-5-18-16(9-15)12-25(2)24-18/h3-6,9-10,12-14,22H,7-8,11H2,1-2H3
InChIKeyVNGAJULPBJVORU-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.05
Rot. Bonds2

About 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123501250) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID123501250
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN(c2ccc3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CCN1
InChIInChI=1S/C21H22N6O/c1-14-11-26(8-7-22-14)17-4-6-20-23-19(10-21(28)27(20)13-17)15-3-5-18-16(9-15)12-25(2)24-18/h3-6,9-10,12-14,22H,7-8,11H2,1-2H3
InChIKeyVNGAJULPBJVORU-UHFFFAOYSA-N
XLogP2.05
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 123501250) is 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is CC1CN(c2ccc3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CCN1.
What is the InChIKey of 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VNGAJULPBJVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-11-26(8-7-22-14)17-4-6-20-23-19(10-21(28)27(20)13-17)15-3-5-18-16(9-15)12-25(2)24-18/h3-6,9-10,12-14,22H,7-8,11H2,1-2H3.
What are the key properties of 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 374.45 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123501250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).