tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate

C26H33N3O4 — CID 162735592

IUPACtert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate
SMILESCOc1ccc(-c2cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)cc(C)c3n2)cc1OC
InChIInChI=1S/C26H33N3O4/c1-17-13-20(18-9-11-28(12-10-18)25(30)33-26(2,3)4)15-29-16-21(27-24(17)29)19-7-8-22(31-5)23(14-19)32-6/h7-8,13-16,18H,9-12H2,1-6H3
InChIKeyDKDUXEFGZCZUTO-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.44
Rot. Bonds4

About tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate (PubChem CID 162735592) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate
PubChem CID162735592
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Nametert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate
SMILESCOc1ccc(-c2cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)cc(C)c3n2)cc1OC
InChIInChI=1S/C26H33N3O4/c1-17-13-20(18-9-11-28(12-10-18)25(30)33-26(2,3)4)15-29-16-21(27-24(17)29)19-7-8-22(31-5)23(14-19)32-6/h7-8,13-16,18H,9-12H2,1-6H3
InChIKeyDKDUXEFGZCZUTO-UHFFFAOYSA-N
XLogP5.44
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 66889503
4-[4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]phenyl]piperazine-1-carboxylic acid
CID 175411485
tert-butyl 4-(4-formyl-3-methylphenyl)piperidine-1-carboxylate
CID 130199926
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 3-(3-methoxy-4-methylphenyl)pyrrolidine-1-carboxylate
CID 169494828
tert-butyl 4-[3-(2,2-difluoroethyl)-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]piperidine-1-carboxylate
CID 134230568
tert-butyl 4-(5-formyl-2-methoxyphenyl)piperidine-1-carboxylate
CID 167311933
6-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 162735603
tert-butyl 4-(4-isocyano-3-methylphenyl)piperidine-1-carboxylate
CID 58559209
tert-butyl (3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 95566662
tert-butyl 4-[2-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050783
tert-butyl 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-1-carboxylate
CID 169498563

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate (CID 162735592) is tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate is COc1ccc(-c2cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)cc(C)c3n2)cc1OC.
What is the InChIKey of tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate?
The InChIKey is DKDUXEFGZCZUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-17-13-20(18-9-11-28(12-10-18)25(30)33-26(2,3)4)15-29-16-21(27-24(17)29)19-7-8-22(31-5)23(14-19)32-6/h7-8,13-16,18H,9-12H2,1-6H3.
What are the key properties of tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate has a molecular weight of 451.57 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 162735592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).