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

C35H38N8O3 — CID 67304422

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

[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid (PubChem CID 67304422) has the molecular formula C35H38N8O3 and a molecular weight of 618.74 g/mol. Its IUPAC name is [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid.

Molecular Properties

• Compound Name: [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid
• PubChem CID: 67304422
• Molecular Formula: C35H38N8O3
• Molecular Weight: 618.74 g/mol
• Exact Mass: 618.31
• IUPAC Name: [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid
• SMILES: CC(C)(C)N(C(=O)O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(N6CCOCC6)n5)nc43)cc2)CCC1
• InChI: InChI=1S/C35H38N8O3/c1-34(2,3)43(33(44)45)35(16-6-17-35)23-10-12-24(13-11-23)42-31(25-7-5-18-37-30(25)36)40-28-15-14-27(39-32(28)42)26-8-4-9-29(38-26)41-19-21-46-22-20-41/h4-5,7-15,18H,6,16-17,19-22H2,1-3H3,(H2,36,37)(H,44,45)
• InChIKey: ZVZQCMSCQUKFAY-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 135.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.74
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid (CID 67304422) is [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid.

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

The canonical SMILES for [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(N6CCOCC6)n5)nc43)cc2)CCC1.

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

The InChIKey is ZVZQCMSCQUKFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N8O3/c1-34(2,3)43(33(44)45)35(16-6-17-35)23-10-12-24(13-11-23)42-31(25-7-5-18-37-30(25)36)40-28-15-14-27(39-32(28)42)26-8-4-9-29(38-26)41-19-21-46-22-20-41/h4-5,7-15,18H,6,16-17,19-22H2,1-3H3,(H2,36,37)(H,44,45).

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

[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid has a molecular weight of 618.74 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid is sourced from PubChem (CID 67304422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).