(9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one

C27H30N4O3 — CID 110063241

IUPAC(9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one
SMILESCc1ccc2nc(C(=O)N3CCC4(C/C=C/Cc5ccccc5OCC(=O)NC4)CC3)cn2c1
InChIInChI=1S/C27H30N4O3/c1-20-9-10-24-29-22(17-31(24)16-20)26(33)30-14-12-27(13-15-30)11-5-4-7-21-6-2-3-8-23(21)34-18-25(32)28-19-27/h2-6,8-10,16-17H,7,11-15,18-19H2,1H3,(H,28,32)/b5-4+
InChIKeyAMDRLTVDIPIIME-SNAWJCMRSA-N
MW458.56 g/mol
LogP3.56
Rot. Bonds1

About (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one

(9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one (PubChem CID 110063241) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name(9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one
PubChem CID110063241
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name(9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one
SMILESCc1ccc2nc(C(=O)N3CCC4(C/C=C/Cc5ccccc5OCC(=O)NC4)CC3)cn2c1
InChIInChI=1S/C27H30N4O3/c1-20-9-10-24-29-22(17-31(24)16-20)26(33)30-14-12-27(13-15-30)11-5-4-7-21-6-2-3-8-23(21)34-18-25(32)28-19-27/h2-6,8-10,16-17H,7,11-15,18-19H2,1H3,(H,28,32)/b5-4+
InChIKeyAMDRLTVDIPIIME-SNAWJCMRSA-N
XLogP3.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(9E)-1'-(3-pyridin-3-ylpropanoyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one
CID 110063234
1'-(2-fluorophenyl)sulfonylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one
CID 171146957
N-[2-oxo-2-[(9E)-4-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,3'-piperidine]-1'-yl]ethyl]methanesulfonamide
CID 110063487
7-methyl-3-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 70708559
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 70716580
(9R,10S)-1'-(1,3-benzodioxole-5-carbonyl)-9,10-dihydroxyspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-4-one
CID 110065386
[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 127248073
2-[(12E)-4,9-dioxospiro[2-oxa-5,8-diazabicyclo[13.4.0]nonadeca-1(19),12,15,17-tetraene-10,4'-piperidine]-1'-yl]-N-methylacetamide
CID 110063491
(2R)-N,2-dimethyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholine-2-carboxamide
CID 124986885
(6-methylimidazo[1,2-a]pyridin-2-yl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105201
1'-[1-(2-methoxyethyl)indole-2-carbonyl]spiro[2-oxa-7-azabicyclo[12.4.0]octadeca-1(18),14,16-triene-9,4'-piperidine]-6-one
CID 133071240
(6-methylimidazo[1,2-a]pyridin-2-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 110103325

Frequently Asked Questions

What is the IUPAC name of (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one?
The IUPAC name of (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one (CID 110063241) is (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one.
What is the SMILES notation for (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one?
The canonical SMILES for (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one is Cc1ccc2nc(C(=O)N3CCC4(C/C=C/Cc5ccccc5OCC(=O)NC4)CC3)cn2c1.
What is the InChIKey of (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one?
The InChIKey is AMDRLTVDIPIIME-SNAWJCMRSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-20-9-10-24-29-22(17-31(24)16-20)26(33)30-14-12-27(13-15-30)11-5-4-7-21-6-2-3-8-23(21)34-18-25(32)28-19-27/h2-6,8-10,16-17H,7,11-15,18-19H2,1H3,(H,28,32)/b5-4+.
What are the key properties of (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one?
(9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one has a molecular weight of 458.56 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-1'-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,4'-piperidine]-4-one is sourced from PubChem (CID 110063241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).