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

C22H24N6O — CID 123954470

IUPAC2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(-c2cc(=O)n3cc(N4CCNC(C)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C22H24N6O/c1-14-8-16(9-17-12-26(3)25-22(14)17)19-10-21(29)28-13-18(4-5-20(28)24-19)27-7-6-23-15(2)11-27/h4-5,8-10,12-13,15,23H,6-7,11H2,1-3H3
InChIKeyOFVMCPPKZFDWOQ-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.35
Rot. Bonds2

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

2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123954470) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID123954470
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(-c2cc(=O)n3cc(N4CCNC(C)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C22H24N6O/c1-14-8-16(9-17-12-26(3)25-22(14)17)19-10-21(29)28-13-18(4-5-20(28)24-19)27-7-6-23-15(2)11-27/h4-5,8-10,12-13,15,23H,6-7,11H2,1-3H3
InChIKeyOFVMCPPKZFDWOQ-UHFFFAOYSA-N
XLogP2.35
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 123954470) is 2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cc(-c2cc(=O)n3cc(N4CCNC(C)C4)ccc3n2)cc2cn(C)nc12.
What is the InChIKey of 2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OFVMCPPKZFDWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-8-16(9-17-12-26(3)25-22(14)17)19-10-21(29)28-13-18(4-5-20(28)24-19)27-7-6-23-15(2)11-27/h4-5,8-10,12-13,15,23H,6-7,11H2,1-3H3.
What are the key properties of 2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 388.48 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123954470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).