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

C22H24N6O — CID 123261077

IUPAC9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N2CCNC(C)C2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12
InChIInChI=1S/C22H24N6O/c1-14-8-18(27-7-6-23-15(2)11-27)13-28-21(29)10-20(24-22(14)28)16-4-5-19-17(9-16)12-26(3)25-19/h4-5,8-10,12-13,15,23H,6-7,11H2,1-3H3
InChIKeyDWGHFKYCXIMXJG-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.35
Rot. Bonds2

About 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123261077) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID123261077
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N2CCNC(C)C2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12
InChIInChI=1S/C22H24N6O/c1-14-8-18(27-7-6-23-15(2)11-27)13-28-21(29)10-20(24-22(14)28)16-4-5-19-17(9-16)12-26(3)25-19/h4-5,8-10,12-13,15,23H,6-7,11H2,1-3H3
InChIKeyDWGHFKYCXIMXJG-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 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 123261077) is 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cc(N2CCNC(C)C2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.
What is the InChIKey of 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DWGHFKYCXIMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-8-18(27-7-6-23-15(2)11-27)13-28-21(29)10-20(24-22(14)28)16-4-5-19-17(9-16)12-26(3)25-19/h4-5,8-10,12-13,15,23H,6-7,11H2,1-3H3.
What are the key properties of 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(2-methylindazol-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 9-methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123261077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).