tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

C17H24N4O2 — CID 66545134

IUPACtert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
SMILESCc1nc2ncccc2n1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H24N4O2/c1-12-19-15-14(6-5-9-18-15)21(12)13-7-10-20(11-8-13)16(22)23-17(2,3)4/h5-6,9,13H,7-8,10-11H2,1-4H3
InChIKeySRMOLHUEKZRXBU-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.31
Rot. Bonds1

About tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (PubChem CID 66545134) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
PubChem CID66545134
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Nametert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
SMILESCc1nc2ncccc2n1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H24N4O2/c1-12-19-15-14(6-5-9-18-15)21(12)13-7-10-20(11-8-13)16(22)23-17(2,3)4/h5-6,9,13H,7-8,10-11H2,1-4H3
InChIKeySRMOLHUEKZRXBU-UHFFFAOYSA-N
XLogP3.31
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (CID 66545134) is tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate is Cc1nc2ncccc2n1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is SRMOLHUEKZRXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-19-15-14(6-5-9-18-15)21(12)13-7-10-20(11-8-13)16(22)23-17(2,3)4/h5-6,9,13H,7-8,10-11H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 316.41 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methylimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 66545134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).