tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate

C33H42N8O3 — CID 171563508

About tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate

tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate (PubChem CID 171563508) has the molecular formula C33H42N8O3 and a molecular weight of 601.77 g/mol. Its IUPAC name is tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate
• PubChem CID: 171563508
• Molecular Formula: C33H42N8O3
• Molecular Weight: 601.77 g/mol
• Exact Mass: 601.36
• IUPAC Name: tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate
• SMILES: [2H]C([2H])([2H])N(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-n3c(-c4cccnc4N)nc4ccc(N5CCOCC5)nc43)cc2)CC1
• InChI: InChI=1S/C33H42N8O3/c1-33(2,3)44-32(42)38(4)24-13-16-39(17-14-24)22-23-7-9-25(10-8-23)41-30(26-6-5-15-35-29(26)34)36-27-11-12-28(37-31(27)41)40-18-20-43-21-19-40/h5-12,15,24H,13-14,16-22H2,1-4H3,(H2,34,35)/i4D3
• InChIKey: OWRUQILRFJKVMW-GKOSEXJESA-N
• XLogP: 4.73
• TPSA: 114.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.77
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate?

The IUPAC name of tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate (CID 171563508) is tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate.

What is the SMILES notation for tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate?

The canonical SMILES for tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate is [2H]C([2H])([2H])N(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-n3c(-c4cccnc4N)nc4ccc(N5CCOCC5)nc43)cc2)CC1.

What is the InChIKey of tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate?

The InChIKey is OWRUQILRFJKVMW-GKOSEXJESA-N. The full InChI is InChI=1S/C33H42N8O3/c1-33(2,3)44-32(42)38(4)24-13-16-39(17-14-24)22-23-7-9-25(10-8-23)41-30(26-6-5-15-35-29(26)34)36-27-11-12-28(37-31(27)41)40-18-20-43-21-19-40/h5-12,15,24H,13-14,16-22H2,1-4H3,(H2,34,35)/i4D3.

What are the key properties of tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate?

tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate has a molecular weight of 601.77 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-N-(trideuteriomethyl)carbamate is sourced from PubChem (CID 171563508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).