N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide

C17H24N6O2 — CID 146109733

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide
SMILESCc1cc(NC(=O)CN2CCc3[nH]cnc3C23CCOCC3)n(C)n1
InChIInChI=1S/C17H24N6O2/c1-12-9-14(22(2)21-12)20-15(24)10-23-6-3-13-16(19-11-18-13)17(23)4-7-25-8-5-17/h9,11H,3-8,10H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyWRIOHJDRHADVQC-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.95
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide

N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide (PubChem CID 146109733) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide
PubChem CID146109733
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide
SMILESCc1cc(NC(=O)CN2CCc3[nH]cnc3C23CCOCC3)n(C)n1
InChIInChI=1S/C17H24N6O2/c1-12-9-14(22(2)21-12)20-15(24)10-23-6-3-13-16(19-11-18-13)17(23)4-7-25-8-5-17/h9,11H,3-8,10H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyWRIOHJDRHADVQC-UHFFFAOYSA-N
XLogP0.95
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide (CID 146109733) is N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide is Cc1cc(NC(=O)CN2CCc3[nH]cnc3C23CCOCC3)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide?
The InChIKey is WRIOHJDRHADVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-9-14(22(2)21-12)20-15(24)10-23-6-3-13-16(19-11-18-13)17(23)4-7-25-8-5-17/h9,11H,3-8,10H2,1-2H3,(H,18,19)(H,20,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide has a molecular weight of 344.42 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide is sourced from PubChem (CID 146109733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).