5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol

C22H24N8O — CID 155287406

IUPAC5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol
SMILESCc1cn2cc(-c3cnc(-c4cnc(N5CCN(C)CC5)nn4)c(O)c3)cc(C)c2n1
InChIInChI=1S/C22H24N8O/c1-14-8-17(13-30-12-15(2)25-21(14)30)16-9-19(31)20(23-10-16)18-11-24-22(27-26-18)29-6-4-28(3)5-7-29/h8-13,31H,4-7H2,1-3H3
InChIKeyIAYQTGOVQTYTOK-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.32
Rot. Bonds3

About 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol

5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol (PubChem CID 155287406) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol
PubChem CID155287406
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol
SMILESCc1cn2cc(-c3cnc(-c4cnc(N5CCN(C)CC5)nn4)c(O)c3)cc(C)c2n1
InChIInChI=1S/C22H24N8O/c1-14-8-17(13-30-12-15(2)25-21(14)30)16-9-19(31)20(23-10-16)18-11-24-22(27-26-18)29-6-4-28(3)5-7-29/h8-13,31H,4-7H2,1-3H3
InChIKeyIAYQTGOVQTYTOK-UHFFFAOYSA-N
XLogP2.32
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol?
The IUPAC name of 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol (CID 155287406) is 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol is Cc1cn2cc(-c3cnc(-c4cnc(N5CCN(C)CC5)nn4)c(O)c3)cc(C)c2n1.
What is the InChIKey of 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol?
The InChIKey is IAYQTGOVQTYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-14-8-17(13-30-12-15(2)25-21(14)30)16-9-19(31)20(23-10-16)18-11-24-22(27-26-18)29-6-4-28(3)5-7-29/h8-13,31H,4-7H2,1-3H3.
What are the key properties of 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol?
5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol has a molecular weight of 416.49 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol is sourced from PubChem (CID 155287406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).