N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide

C20H26N8O2 — CID 177108693

IUPACN'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide
SMILESCCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2c(C)n1
InChIInChI=1S/C20H26N8O2/c1-4-30-17-9-21-6-5-16(17)28(26-20(29)15-7-22-12-23-8-15)18-11-27-10-13(2)24-19(27)14(3)25-18/h7-8,10-12,16-17,21H,4-6,9H2,1-3H3,(H,26,29)
InChIKeyZGAXMGHTHULFJE-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.05
Rot. Bonds6

About N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide

N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide (PubChem CID 177108693) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide
PubChem CID177108693
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide
SMILESCCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2c(C)n1
InChIInChI=1S/C20H26N8O2/c1-4-30-17-9-21-6-5-16(17)28(26-20(29)15-7-22-12-23-8-15)18-11-27-10-13(2)24-19(27)14(3)25-18/h7-8,10-12,16-17,21H,4-6,9H2,1-3H3,(H,26,29)
InChIKeyZGAXMGHTHULFJE-UHFFFAOYSA-N
XLogP1.05
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide?
The IUPAC name of N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide (CID 177108693) is N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide?
The canonical SMILES for N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide is CCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2c(C)n1.
What is the InChIKey of N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide?
The InChIKey is ZGAXMGHTHULFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-4-30-17-9-21-6-5-16(17)28(26-20(29)15-7-22-12-23-8-15)18-11-27-10-13(2)24-19(27)14(3)25-18/h7-8,10-12,16-17,21H,4-6,9H2,1-3H3,(H,26,29).
What are the key properties of N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide?
N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide has a molecular weight of 410.48 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 177108693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).