4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide

C34H36N8O2 — CID 71138544

About 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide

4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide (PubChem CID 71138544) has the molecular formula C34H36N8O2 and a molecular weight of 588.72 g/mol. Its IUPAC name is 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide
• PubChem CID: 71138544
• Molecular Formula: C34H36N8O2
• Molecular Weight: 588.72 g/mol
• Exact Mass: 588.30
• IUPAC Name: 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide
• SMILES: CN(C)C(=O)C1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CCO1
• InChI: InChI=1S/C34H36N8O2/c1-40(2)33(43)29-21-41(18-19-44-29)25-7-3-6-22(20-25)27-13-14-28-32(38-27)42(31(39-28)26-8-4-17-37-30(26)35)24-11-9-23(10-12-24)34(36)15-5-16-34/h3-4,6-14,17,20,29H,5,15-16,18-19,21,36H2,1-2H3,(H2,35,37)
• InChIKey: OAWRZCHQFNLQDY-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 128.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.72
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide?

The IUPAC name of 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide (CID 71138544) is 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide.

What is the SMILES notation for 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide?

The canonical SMILES for 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide is CN(C)C(=O)C1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CCO1.

What is the InChIKey of 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide?

The InChIKey is OAWRZCHQFNLQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N8O2/c1-40(2)33(43)29-21-41(18-19-44-29)25-7-3-6-22(20-25)27-13-14-28-32(38-27)42(31(39-28)26-8-4-17-37-30(26)35)24-11-9-23(10-12-24)34(36)15-5-16-34/h3-4,6-14,17,20,29H,5,15-16,18-19,21,36H2,1-2H3,(H2,35,37).

What are the key properties of 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide?

4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide has a molecular weight of 588.72 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 71138544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).