3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol

C32H31N5O2 — CID 71138255

About 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol

3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 71138255) has the molecular formula C32H31N5O2 and a molecular weight of 517.63 g/mol. Its IUPAC name is 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 71138255
• Molecular Formula: C32H31N5O2
• Molecular Weight: 517.63 g/mol
• Exact Mass: 517.25
• IUPAC Name: 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: NC1(c2ccc(-n3c(-c4cccc(O)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1
• InChI: InChI=1S/C32H31N5O2/c33-32(14-3-15-32)24-8-10-25(11-9-24)37-30(23-5-2-7-27(38)21-23)35-29-13-12-28(34-31(29)37)22-4-1-6-26(20-22)36-16-18-39-19-17-36/h1-2,4-13,20-21,38H,3,14-19,33H2
• InChIKey: TWWBXGGEFLRFLN-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 89.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.63
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

The IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (CID 71138255) is 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.

What is the SMILES notation for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

The canonical SMILES for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is NC1(c2ccc(-n3c(-c4cccc(O)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1.

What is the InChIKey of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

The InChIKey is TWWBXGGEFLRFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O2/c33-32(14-3-15-32)24-8-10-25(11-9-24)37-30(23-5-2-7-27(38)21-23)35-29-13-12-28(34-31(29)37)22-4-1-6-26(20-22)36-16-18-39-19-17-36/h1-2,4-13,20-21,38H,3,14-19,33H2.

What are the key properties of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 517.63 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 71138255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).