[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone

C21H25N3O2 — CID 97452679

IUPAC[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
SMILESCCO[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2cc(C)ccc21
InChIInChI=1S/C21H25N3O2/c1-3-26-19-13-21(18-12-15(2)4-5-17(18)19)7-10-24(11-8-21)20(25)16-6-9-22-23-14-16/h4-6,9,12,14,19H,3,7-8,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyZARKQXINZCHPDC-IBGZPJMESA-N
MW351.45 g/mol
LogP3.44
Rot. Bonds3

About [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone

[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone (PubChem CID 97452679) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
PubChem CID97452679
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
SMILESCCO[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2cc(C)ccc21
InChIInChI=1S/C21H25N3O2/c1-3-26-19-13-21(18-12-15(2)4-5-17(18)19)7-10-24(11-8-21)20(25)16-6-9-22-23-14-16/h4-6,9,12,14,19H,3,7-8,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyZARKQXINZCHPDC-IBGZPJMESA-N
XLogP3.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone
CID 134079364
(1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 131658832
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-(5-methyl-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 131679950
1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one
CID 131687350
N-cyclobutyl-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131655149
N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131647919
1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 131651775
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97419440
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone
CID 134073257
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone (CID 97452679) is [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone is CCO[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2cc(C)ccc21.
What is the InChIKey of [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone?
The InChIKey is ZARKQXINZCHPDC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-26-19-13-21(18-12-15(2)4-5-17(18)19)7-10-24(11-8-21)20(25)16-6-9-22-23-14-16/h4-6,9,12,14,19H,3,7-8,10-11,13H2,1-2H3/t19-/m0/s1.
What are the key properties of [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone?
[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone has a molecular weight of 351.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97452679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).