(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

C17H22N4O2 — CID 135118088

IUPAC(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
SMILESCC1=CC2(CCN(C(=O)c3cnn4ccn(C)c34)CC2)OCC1
InChIInChI=1S/C17H22N4O2/c1-13-3-10-23-17(11-13)4-6-20(7-5-17)16(22)14-12-18-21-9-8-19(2)15(14)21/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyJUELCTHHKZFIEZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.01
Rot. Bonds1

About (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone (PubChem CID 135118088) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
PubChem CID135118088
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
SMILESCC1=CC2(CCN(C(=O)c3cnn4ccn(C)c34)CC2)OCC1
InChIInChI=1S/C17H22N4O2/c1-13-3-10-23-17(11-13)4-6-20(7-5-17)16(22)14-12-18-21-9-8-19(2)15(14)21/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyJUELCTHHKZFIEZ-UHFFFAOYSA-N
XLogP2.01
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 165427231
1,3-dimethyl-6-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)pyrimidine-2,4-dione
CID 163309157
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 164698036
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163306529
(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 165421420
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 135091721
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 163312209
(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135093117
3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one
CID 135104063
(1S,8R)-9-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154815902
4-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 135100856
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone
CID 164697981

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone (CID 135118088) is (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone.
What is the SMILES notation for (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The canonical SMILES for (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone is CC1=CC2(CCN(C(=O)c3cnn4ccn(C)c34)CC2)OCC1.
What is the InChIKey of (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The InChIKey is JUELCTHHKZFIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-3-10-23-17(11-13)4-6-20(7-5-17)16(22)14-12-18-21-9-8-19(2)15(14)21/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone is sourced from PubChem (CID 135118088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).