[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate

C26H27ClN6O2 — CID 153327820

About [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate

[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate (PubChem CID 153327820) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate.

Molecular Properties

• Compound Name: [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate
• PubChem CID: 153327820
• Molecular Formula: C26H27ClN6O2
• Molecular Weight: 491.00 g/mol
• Exact Mass: 490.19
• IUPAC Name: [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate
• SMILES: CC(C)(C)C1CCC1(OC(N)=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(Cl)nc32)cc1
• InChI: InChI=1S/C26H27ClN6O2/c1-25(2,3)19-12-13-26(19,35-24(29)34)15-6-8-16(9-7-15)33-22(17-5-4-14-30-21(17)28)31-18-10-11-20(27)32-23(18)33/h4-11,14,19H,12-13H2,1-3H3,(H2,28,30)(H2,29,34)
• InChIKey: UXNOIXAJTJINLA-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 121.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.00
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate?

The IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate (CID 153327820) is [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate.

What is the SMILES notation for [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate?

The canonical SMILES for [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate is CC(C)(C)C1CCC1(OC(N)=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(Cl)nc32)cc1.

What is the InChIKey of [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate?

The InChIKey is UXNOIXAJTJINLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-25(2,3)19-12-13-26(19,35-24(29)34)15-6-8-16(9-7-15)33-22(17-5-4-14-30-21(17)28)31-18-10-11-20(27)32-23(18)33/h4-11,14,19H,12-13H2,1-3H3,(H2,28,30)(H2,29,34).

What are the key properties of [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate?

[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate has a molecular weight of 491.00 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]-2-tert-butylcyclobutyl] carbamate is sourced from PubChem (CID 153327820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).