tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate

C28H34N6O2 — CID 164553855

IUPACtert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2[nH]c3cc(-c4cn(C5CCN(C(=O)OC(C)(C)C)CC5)nn4)ccc3c2C)cc(C)n1
InChIInChI=1S/C28H34N6O2/c1-17-13-21(14-18(2)29-17)26-19(3)23-8-7-20(15-24(23)30-26)25-16-34(32-31-25)22-9-11-33(12-10-22)27(35)36-28(4,5)6/h7-8,13-16,22,30H,9-12H2,1-6H3
InChIKeyVTQFADXJSHWKCI-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.99
Rot. Bonds3

About tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate (PubChem CID 164553855) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate
PubChem CID164553855
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Nametert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2[nH]c3cc(-c4cn(C5CCN(C(=O)OC(C)(C)C)CC5)nn4)ccc3c2C)cc(C)n1
InChIInChI=1S/C28H34N6O2/c1-17-13-21(14-18(2)29-17)26-19(3)23-8-7-20(15-24(23)30-26)25-16-34(32-31-25)22-9-11-33(12-10-22)27(35)36-28(4,5)6/h7-8,13-16,22,30H,9-12H2,1-6H3
InChIKeyVTQFADXJSHWKCI-UHFFFAOYSA-N
XLogP5.99
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-pyrrolo[2,3-b]pyridin-6-yl]piperidine-1-carboxylate
CID 164553554
tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate
CID 67324522
tert-butyl 4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;molecular hydrogen
CID 164553671
tert-butyl N-[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]pyridine-2-carbonyl]piperidin-4-yl]carbamate
CID 164553545
tert-butyl (1S,3R,4R)-3-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 164553430
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
CID 73013691
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
3-amino-6-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazol-4-yl]pyrazine-2-carboxylic acid
CID 163221928
tert-butyl 4-[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]triazol-1-yl]piperidine-1-carboxylate
CID 67388898
tert-butyl 4-[4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 58532272
1-[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperazin-1-yl]ethanone;ethane
CID 164553749

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate (CID 164553855) is tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate is Cc1cc(-c2[nH]c3cc(-c4cn(C5CCN(C(=O)OC(C)(C)C)CC5)nn4)ccc3c2C)cc(C)n1.
What is the InChIKey of tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate?
The InChIKey is VTQFADXJSHWKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-17-13-21(14-18(2)29-17)26-19(3)23-8-7-20(15-24(23)30-26)25-16-34(32-31-25)22-9-11-33(12-10-22)27(35)36-28(4,5)6/h7-8,13-16,22,30H,9-12H2,1-6H3.
What are the key properties of tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate has a molecular weight of 486.62 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 164553855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).