7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol

C33H33N7O — CID 121297410

About 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol

7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol (PubChem CID 121297410) has the molecular formula C33H33N7O and a molecular weight of 543.68 g/mol. Its IUPAC name is 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

• Compound Name: 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol
• PubChem CID: 121297410
• Molecular Formula: C33H33N7O
• Molecular Weight: 543.68 g/mol
• Exact Mass: 543.27
• IUPAC Name: 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol
• SMILES: Nc1ncccc1-c1nc2ccc(-c3cccc(N4C5CCC4C(O)C5)c3)nc2n1-c1ccc(C2(N)CCC2)cc1
• InChI: InChI=1S/C33H33N7O/c34-30-25(6-2-17-36-30)31-38-27-13-12-26(20-4-1-5-23(18-20)39-24-11-14-28(39)29(41)19-24)37-32(27)40(31)22-9-7-21(8-10-22)33(35)15-3-16-33/h1-2,4-10,12-13,17-18,24,28-29,41H,3,11,14-16,19,35H2,(H2,34,36)
• InChIKey: NVHXDYZSTOKMSK-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 119.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.68
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol?

The IUPAC name of 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol (CID 121297410) is 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol.

What is the SMILES notation for 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol?

The canonical SMILES for 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol is Nc1ncccc1-c1nc2ccc(-c3cccc(N4C5CCC4C(O)C5)c3)nc2n1-c1ccc(C2(N)CCC2)cc1.

What is the InChIKey of 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol?

The InChIKey is NVHXDYZSTOKMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N7O/c34-30-25(6-2-17-36-30)31-38-27-13-12-26(20-4-1-5-23(18-20)39-24-11-14-28(39)29(41)19-24)37-32(27)40(31)22-9-7-21(8-10-22)33(35)15-3-16-33/h1-2,4-10,12-13,17-18,24,28-29,41H,3,11,14-16,19,35H2,(H2,34,36).

What are the key properties of 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol?

7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol has a molecular weight of 543.68 g/mol, XLogP of 5.17, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-7-azabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 121297410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).