tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate

C22H32N6O2 — CID 175902422

About tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate

tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate (PubChem CID 175902422) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate
• PubChem CID: 175902422
• Molecular Formula: C22H32N6O2
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.26
• IUPAC Name: tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate
• SMILES: CC(C)Cc1nc2cnc(C#N)cc2n1C1CC(NC(=O)OC(C)(C)C)CN(C)C1
• InChI: InChI=1S/C22H32N6O2/c1-14(2)7-20-26-18-11-24-15(10-23)9-19(18)28(20)17-8-16(12-27(6)13-17)25-21(29)30-22(3,4)5/h9,11,14,16-17H,7-8,12-13H2,1-6H3,(H,25,29)
• InChIKey: WRNGLENCTZXKOY-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 96.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate (CID 175902422) is tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate is CC(C)Cc1nc2cnc(C#N)cc2n1C1CC(NC(=O)OC(C)(C)C)CN(C)C1.

What is the InChIKey of tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate?

The InChIKey is WRNGLENCTZXKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-14(2)7-20-26-18-11-24-15(10-23)9-19(18)28(20)17-8-16(12-27(6)13-17)25-21(29)30-22(3,4)5/h9,11,14,16-17H,7-8,12-13H2,1-6H3,(H,25,29).

What are the key properties of tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate?

tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate has a molecular weight of 412.54 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 175902422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).