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

C18H22N8O2 — CID 177108601

IUPACN'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide
SMILESCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2cn1
InChIInChI=1S/C18H22N8O2/c1-12-9-25-10-17(22-8-16(25)23-12)26(14-3-4-19-7-15(14)28-2)24-18(27)13-5-20-11-21-6-13/h5-6,8-11,14-15,19H,3-4,7H2,1-2H3,(H,24,27)
InChIKeyAQEMCISFVIUHNY-UHFFFAOYSA-N
MW382.43 g/mol
LogP0.36
Rot. Bonds5

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

N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide (PubChem CID 177108601) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide
PubChem CID177108601
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide
SMILESCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2cn1
InChIInChI=1S/C18H22N8O2/c1-12-9-25-10-17(22-8-16(25)23-12)26(14-3-4-19-7-15(14)28-2)24-18(27)13-5-20-11-21-6-13/h5-6,8-11,14-15,19H,3-4,7H2,1-2H3,(H,24,27)
InChIKeyAQEMCISFVIUHNY-UHFFFAOYSA-N
XLogP0.36
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 50.36
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'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide?
The IUPAC name of N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide (CID 177108601) is N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide?
The canonical SMILES for N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide is COC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2cn1.
What is the InChIKey of N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide?
The InChIKey is AQEMCISFVIUHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-12-9-25-10-17(22-8-16(25)23-12)26(14-3-4-19-7-15(14)28-2)24-18(27)13-5-20-11-21-6-13/h5-6,8-11,14-15,19H,3-4,7H2,1-2H3,(H,24,27).
What are the key properties of N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide?
N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide has a molecular weight of 382.43 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypiperidin-4-yl)-N'-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 177108601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).