tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene

C24H39N3O2 — CID 166116770

IUPACtert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene
SMILESC=C.CC.CC.Cc1cnc2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)ccn12
InChIInChI=1S/C18H23N3O2.2C2H6.C2H4/c1-13-12-19-16-11-15(7-10-21(13)16)14-5-8-20(9-6-14)17(22)23-18(2,3)4;3*1-2/h5,7,10-12H,6,8-9H2,1-4H3;2*1-2H3;1-2H2
InChIKeyASGVYLFUAYKAOA-UHFFFAOYSA-N
MW401.60 g/mol
LogP6.52
Rot. Bonds1

About tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene

tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene (PubChem CID 166116770) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene.

Molecular Properties

Compound Nametert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene
PubChem CID166116770
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Nametert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene
SMILESC=C.CC.CC.Cc1cnc2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)ccn12
InChIInChI=1S/C18H23N3O2.2C2H6.C2H4/c1-13-12-19-16-11-15(7-10-21(13)16)14-5-8-20(9-6-14)17(22)23-18(2,3)4;3*1-2/h5,7,10-12H,6,8-9H2,1-4H3;2*1-2H3;1-2H2
InChIKeyASGVYLFUAYKAOA-UHFFFAOYSA-N
XLogP6.52
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene with MolForge

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Related Compounds

tert-butyl 4-(5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70915305
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654
tert-butyl 4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 19705303
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate
CID 144544784
tert-butyl 4-(1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141422344
tert-butyl 4-(3-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 166095111
tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170340824
tert-butyl 4-[6-[hydroxy(methyl)amino]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123296836

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene?
The IUPAC name of tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene (CID 166116770) is tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene.
What is the SMILES notation for tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene?
The canonical SMILES for tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene is C=C.CC.CC.Cc1cnc2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)ccn12.
What is the InChIKey of tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene?
The InChIKey is ASGVYLFUAYKAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.2C2H6.C2H4/c1-13-12-19-16-11-15(7-10-21(13)16)14-5-8-20(9-6-14)17(22)23-18(2,3)4;3*1-2/h5,7,10-12H,6,8-9H2,1-4H3;2*1-2H3;1-2H2.
What are the key properties of tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene?
tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene has a molecular weight of 401.60 g/mol, XLogP of 6.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene is sourced from PubChem (CID 166116770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).