[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid

C34H35N7O3 — CID 71138701

About [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid

[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 71138701) has the molecular formula C34H35N7O3 and a molecular weight of 589.70 g/mol. Its IUPAC name is [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid.

Molecular Properties

• Compound Name: [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
• PubChem CID: 71138701
• Molecular Formula: C34H35N7O3
• Molecular Weight: 589.70 g/mol
• Exact Mass: 589.28
• IUPAC Name: [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
• SMILES: CC1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)O)CCC6)cc5)c4n3)c2)CC(C)O1
• InChI: InChI=1S/C34H35N7O3/c1-21-19-40(20-22(2)44-21)26-7-3-6-23(18-26)28-13-14-29-32(37-28)41(31(38-29)27-8-4-17-36-30(27)35)25-11-9-24(10-12-25)34(15-5-16-34)39-33(42)43/h3-4,6-14,17-18,21-22,39H,5,15-16,19-20H2,1-2H3,(H2,35,36)(H,42,43)
• InChIKey: COUOFNWDTZEGQU-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 131.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.70
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?

The IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid (CID 71138701) is [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid.

What is the SMILES notation for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?

The canonical SMILES for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid is CC1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)O)CCC6)cc5)c4n3)c2)CC(C)O1.

What is the InChIKey of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?

The InChIKey is COUOFNWDTZEGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O3/c1-21-19-40(20-22(2)44-21)26-7-3-6-23(18-26)28-13-14-29-32(37-28)41(31(38-29)27-8-4-17-36-30(27)35)25-11-9-24(10-12-25)34(15-5-16-34)39-33(42)43/h3-4,6-14,17-18,21-22,39H,5,15-16,19-20H2,1-2H3,(H2,35,36)(H,42,43).

What are the key properties of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?

[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 589.70 g/mol, XLogP of 5.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 71138701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).