2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one

C19H26N6O2 — CID 72860794

IUPAC2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(=O)n(C)n1)CC2
InChIInChI=1S/C19H26N6O2/c1-3-9-25-10-6-14-17(21-13-20-14)19(25)7-11-24(12-8-19)18(27)15-4-5-16(26)23(2)22-15/h4-5,13H,3,6-12H2,1-2H3,(H,20,21)
InChIKeyIRACXKOLMQONIB-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.90
Rot. Bonds3

About 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one

2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one (PubChem CID 72860794) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one
PubChem CID72860794
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(=O)n(C)n1)CC2
InChIInChI=1S/C19H26N6O2/c1-3-9-25-10-6-14-17(21-13-20-14)19(25)7-11-24(12-8-19)18(27)15-4-5-16(26)23(2)22-15/h4-5,13H,3,6-12H2,1-2H3,(H,20,21)
InChIKeyIRACXKOLMQONIB-UHFFFAOYSA-N
XLogP0.90
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one (CID 72860794) is 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one is CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(=O)n(C)n1)CC2.
What is the InChIKey of 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one?
The InChIKey is IRACXKOLMQONIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-3-9-25-10-6-14-17(21-13-20-14)19(25)7-11-24(12-8-19)18(27)15-4-5-16(26)23(2)22-15/h4-5,13H,3,6-12H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one?
2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one has a molecular weight of 370.46 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one is sourced from PubChem (CID 72860794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).