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

C19H24N8O2 — CID 177108727

IUPACN'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide
SMILESCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2c(C)n1
InChIInChI=1S/C19H24N8O2/c1-12-9-26-10-17(24-13(2)18(26)23-12)27(15-4-5-20-8-16(15)29-3)25-19(28)14-6-21-11-22-7-14/h6-7,9-11,15-16,20H,4-5,8H2,1-3H3,(H,25,28)
InChIKeyDSYPHESEZABLNA-UHFFFAOYSA-N
MW396.46 g/mol
LogP0.66
Rot. Bonds5

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

N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide (PubChem CID 177108727) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide
PubChem CID177108727
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC NameN'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide
SMILESCOC1CNCCC1N(NC(=O)c1cncnc1)c1cn2cc(C)nc2c(C)n1
InChIInChI=1S/C19H24N8O2/c1-12-9-26-10-17(24-13(2)18(26)23-12)27(15-4-5-20-8-16(15)29-3)25-19(28)14-6-21-11-22-7-14/h6-7,9-11,15-16,20H,4-5,8H2,1-3H3,(H,25,28)
InChIKeyDSYPHESEZABLNA-UHFFFAOYSA-N
XLogP0.66
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 50.66
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-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide?
The IUPAC name of N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide (CID 177108727) is N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide?
The canonical SMILES for N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide is COC1CNCCC1N(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-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide?
The InChIKey is DSYPHESEZABLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-12-9-26-10-17(24-13(2)18(26)23-12)27(15-4-5-20-8-16(15)29-3)25-19(28)14-6-21-11-22-7-14/h6-7,9-11,15-16,20H,4-5,8H2,1-3H3,(H,25,28).
What are the key properties of N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide?
N'-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-N'-(3-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide has a molecular weight of 396.46 g/mol, XLogP of 0.66, 5 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-methoxypiperidin-4-yl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 177108727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).