[7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone

C26H22ClF3N6O3 — CID 134203842

About [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone

[7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone (PubChem CID 134203842) has the molecular formula C26H22ClF3N6O3 and a molecular weight of 558.95 g/mol. Its IUPAC name is [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone
• PubChem CID: 134203842
• Molecular Formula: C26H22ClF3N6O3
• Molecular Weight: 558.95 g/mol
• Exact Mass: 558.14
• IUPAC Name: [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone
• SMILES: O=C(c1cccc(OC(F)(F)F)n1)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cn3)nc3ccccn13)C2
• InChI: InChI=1S/C26H22ClF3N6O3/c27-16-7-8-19(31-10-16)24-21(35-9-2-1-5-22(35)33-24)13-34-11-17-14-38-15-18(12-34)36(17)25(37)20-4-3-6-23(32-20)39-26(28,29)30/h1-10,17-18H,11-15H2
• InChIKey: WTTGDUCDXFZLPD-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 85.09 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.95
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone?

The IUPAC name of [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone (CID 134203842) is [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone.

What is the SMILES notation for [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone?

The canonical SMILES for [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone is O=C(c1cccc(OC(F)(F)F)n1)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cn3)nc3ccccn13)C2.

What is the InChIKey of [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone?

The InChIKey is WTTGDUCDXFZLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N6O3/c27-16-7-8-19(31-10-16)24-21(35-9-2-1-5-22(35)33-24)13-34-11-17-14-38-15-18(12-34)36(17)25(37)20-4-3-6-23(32-20)39-26(28,29)30/h1-10,17-18H,11-15H2.

What are the key properties of [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone?

[7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone has a molecular weight of 558.95 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[[2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-[6-(trifluoromethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 134203842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).