N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide

C17H22N6O — CID 98894337

IUPACN-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide
SMILESCn1nccc1CN1CCC2(CC(NC(=O)c3cnccn3)C2)C1
InChIInChI=1S/C17H22N6O/c1-22-14(2-4-20-22)11-23-7-3-17(12-23)8-13(9-17)21-16(24)15-10-18-5-6-19-15/h2,4-6,10,13H,3,7-9,11-12H2,1H3,(H,21,24)
InChIKeyOXSLVXHTLJPMCZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.99
Rot. Bonds4

About N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide

N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide (PubChem CID 98894337) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide
PubChem CID98894337
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide
SMILESCn1nccc1CN1CCC2(CC(NC(=O)c3cnccn3)C2)C1
InChIInChI=1S/C17H22N6O/c1-22-14(2-4-20-22)11-23-7-3-17(12-23)8-13(9-17)21-16(24)15-10-18-5-6-19-15/h2,4-6,10,13H,3,7-9,11-12H2,1H3,(H,21,24)
InChIKeyOXSLVXHTLJPMCZ-UHFFFAOYSA-N
XLogP0.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide (CID 98894337) is N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide is Cn1nccc1CN1CCC2(CC(NC(=O)c3cnccn3)C2)C1.
What is the InChIKey of N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide?
The InChIKey is OXSLVXHTLJPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22-14(2-4-20-22)11-23-7-3-17(12-23)8-13(9-17)21-16(24)15-10-18-5-6-19-15/h2,4-6,10,13H,3,7-9,11-12H2,1H3,(H,21,24).
What are the key properties of N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide?
N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 98894337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).