(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone

C18H19N9O — CID 165425244

IUPAC(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2c(C(=O)N3CCN(c4ccnc5nncn45)CC3)ccnc2n1C
InChIInChI=1S/C18H19N9O/c1-12-22-15-13(3-5-19-16(15)24(12)2)17(28)26-9-7-25(8-10-26)14-4-6-20-18-23-21-11-27(14)18/h3-6,11H,7-10H2,1-2H3
InChIKeyDYRUODGRQUVLSB-UHFFFAOYSA-N
MW377.41 g/mol
LogP0.68
Rot. Bonds2

About (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone

(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone (PubChem CID 165425244) has the molecular formula C18H19N9O and a molecular weight of 377.41 g/mol. Its IUPAC name is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone
PubChem CID165425244
Molecular FormulaC18H19N9O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2c(C(=O)N3CCN(c4ccnc5nncn45)CC3)ccnc2n1C
InChIInChI=1S/C18H19N9O/c1-12-22-15-13(3-5-19-16(15)24(12)2)17(28)26-9-7-25(8-10-26)14-4-6-20-18-23-21-11-27(14)18/h3-6,11H,7-10H2,1-2H3
InChIKeyDYRUODGRQUVLSB-UHFFFAOYSA-N
XLogP0.68
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone (CID 165425244) is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone is Cc1nc2c(C(=O)N3CCN(c4ccnc5nncn45)CC3)ccnc2n1C.
What is the InChIKey of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone?
The InChIKey is DYRUODGRQUVLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O/c1-12-22-15-13(3-5-19-16(15)24(12)2)17(28)26-9-7-25(8-10-26)14-4-6-20-18-23-21-11-27(14)18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone?
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone has a molecular weight of 377.41 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 165425244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).