tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate

C25H30N6O3 — CID 70975625

About tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate (PubChem CID 70975625) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate
• PubChem CID: 70975625
• Molecular Formula: C25H30N6O3
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.24
• IUPAC Name: tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate
• SMILES: Cn1c(=O)n(Cc2ccc(C#N)cc2)c2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21
• InChI: InChI=1S/C25H30N6O3/c1-25(2,3)34-23(32)28-19-6-5-13-30(16-19)20-11-12-27-22-21(20)31(24(33)29(22)4)15-18-9-7-17(14-26)8-10-18/h7-12,19H,5-6,13,15-16H2,1-4H3,(H,28,32)/t19-/m1/s1
• InChIKey: MNCVFXDNEKQKAR-LJQANCHMSA-N
• XLogP: 3.15
• TPSA: 105.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate (CID 70975625) is tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate is Cn1c(=O)n(Cc2ccc(C#N)cc2)c2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.

What is the InChIKey of tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate?

The InChIKey is MNCVFXDNEKQKAR-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-25(2,3)34-23(32)28-19-6-5-13-30(16-19)20-11-12-27-22-21(20)31(24(33)29(22)4)15-18-9-7-17(14-26)8-10-18/h7-12,19H,5-6,13,15-16H2,1-4H3,(H,28,32)/t19-/m1/s1.

What are the key properties of tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate?

tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate has a molecular weight of 462.55 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 70975625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).