6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide

C30H26FN7O2 — CID 70941995

About 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide

6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide (PubChem CID 70941995) has the molecular formula C30H26FN7O2 and a molecular weight of 535.58 g/mol. Its IUPAC name is 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide
• PubChem CID: 70941995
• Molecular Formula: C30H26FN7O2
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.21
• IUPAC Name: 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide
• SMILES: Cc1noc(C)c1-c1ccc2nc(-c3cccnc3N)n(C3C(C(N)=O)=CC=CC3(F)Cc3ccccc3)c2n1
• InChI: InChI=1S/C30H26FN7O2/c1-17-24(18(2)40-37-17)22-12-13-23-29(35-22)38(28(36-23)21-11-7-15-34-26(21)32)25-20(27(33)39)10-6-14-30(25,31)16-19-8-4-3-5-9-19/h3-15,25H,16H2,1-2H3,(H2,32,34)(H2,33,39)
• InChIKey: XCQLWGJFKDCZBV-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 138.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide?

The IUPAC name of 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide (CID 70941995) is 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide.

What is the SMILES notation for 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide?

The canonical SMILES for 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide is Cc1noc(C)c1-c1ccc2nc(-c3cccnc3N)n(C3C(C(N)=O)=CC=CC3(F)Cc3ccccc3)c2n1.

What is the InChIKey of 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide?

The InChIKey is XCQLWGJFKDCZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O2/c1-17-24(18(2)40-37-17)22-12-13-23-29(35-22)38(28(36-23)21-11-7-15-34-26(21)32)25-20(27(33)39)10-6-14-30(25,31)16-19-8-4-3-5-9-19/h3-15,25H,16H2,1-2H3,(H2,32,34)(H2,33,39).

What are the key properties of 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide?

6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide has a molecular weight of 535.58 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-amino-3-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 70941995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).