2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide

C29H29FN6O2 — CID 169077851

About 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide

2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide (PubChem CID 169077851) has the molecular formula C29H29FN6O2 and a molecular weight of 512.59 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide
• PubChem CID: 169077851
• Molecular Formula: C29H29FN6O2
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.23
• IUPAC Name: 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)c2ccnc(N3CC4CC3C4)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
• InChI: InChI=1S/C29H29FN6O2/c1-18-10-24(30)25(33-29(37)20-2-3-31-27(14-20)36-16-19-11-22(36)12-19)15-23(18)21-13-26(34-6-8-38-9-7-34)28-32-4-5-35(28)17-21/h2-5,10,13-15,17,19,22H,6-9,11-12,16H2,1H3,(H,33,37)
• InChIKey: NOTYWLDRXCGDRC-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide?

The IUPAC name of 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide (CID 169077851) is 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide?

The canonical SMILES for 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide is Cc1cc(F)c(NC(=O)c2ccnc(N3CC4CC3C4)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.

What is the InChIKey of 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide?

The InChIKey is NOTYWLDRXCGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O2/c1-18-10-24(30)25(33-29(37)20-2-3-31-27(14-20)36-16-19-11-22(36)12-19)15-23(18)21-13-26(34-6-8-38-9-7-34)28-32-4-5-35(28)17-21/h2-5,10,13-15,17,19,22H,6-9,11-12,16H2,1H3,(H,33,37).

What are the key properties of 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide?

2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 169077851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).