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

C19H24N8O2 — CID 177108634

IUPACN'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide
SMILESCCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2cn1
InChIInChI=1S/C19H24N8O2/c1-3-29-16-8-20-5-4-15(16)27(25-19(28)14-6-21-12-22-7-14)18-11-26-10-13(2)24-17(26)9-23-18/h6-7,9-12,15-16,20H,3-5,8H2,1-2H3,(H,25,28)
InChIKeyXUDUGFKONYMSBJ-UHFFFAOYSA-N
MW396.46 g/mol
LogP0.75
Rot. Bonds6

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

N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide (PubChem CID 177108634) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide
PubChem CID177108634
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC NameN'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide
SMILESCCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2cn1
InChIInChI=1S/C19H24N8O2/c1-3-29-16-8-20-5-4-15(16)27(25-19(28)14-6-21-12-22-7-14)18-11-26-10-13(2)24-17(26)9-23-18/h6-7,9-12,15-16,20H,3-5,8H2,1-2H3,(H,25,28)
InChIKeyXUDUGFKONYMSBJ-UHFFFAOYSA-N
XLogP0.75
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 50.75
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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Related Compounds

N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidine-5-carboxamide
CID 170394583
2-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
CID 54596158
7-(2-methylidenehydrazinyl)-5-morpholin-4-yl-N-piperidin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide
CID 139292788
[7-[(2E)-2-ethylidenehydrazinyl]-5-morpholin-4-ylimidazo[1,2-c]pyrimidin-2-yl]-piperazin-1-ylmethanone
CID 139292793
N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide
CID 177108601
N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-ethoxypiperidin-4-yl)pyrimidine-5-carbohydrazide
CID 177108693
N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide
CID 177108727
N-(2-methoxyethyl)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
CID 54670187

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide?
The IUPAC name of N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide (CID 177108634) is N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide?
The canonical SMILES for N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide is CCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2cn1.
What is the InChIKey of N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide?
The InChIKey is XUDUGFKONYMSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-3-29-16-8-20-5-4-15(16)27(25-19(28)14-6-21-12-22-7-14)18-11-26-10-13(2)24-17(26)9-23-18/h6-7,9-12,15-16,20H,3-5,8H2,1-2H3,(H,25,28).
What are the key properties of N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide?
N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide has a molecular weight of 396.46 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 177108634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).