[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

C21H14F8N6O2 — CID 175538963

About [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 175538963) has the molecular formula C21H14F8N6O2 and a molecular weight of 534.37 g/mol. Its IUPAC name is [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
• PubChem CID: 175538963
• Molecular Formula: C21H14F8N6O2
• Molecular Weight: 534.37 g/mol
• Exact Mass: 534.11
• IUPAC Name: [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
• SMILES: O=C(c1cc2c(cn1)c(-c1cnc3c(F)cc(F)cn13)nn2C(F)C(F)F)N1CCOC(C(F)(F)F)C1
• InChI: InChI=1S/C21H14F8N6O2/c22-9-3-11(23)19-31-6-14(34(19)7-9)16-10-5-30-12(4-13(10)35(32-16)18(26)17(24)25)20(36)33-1-2-37-15(8-33)21(27,28)29/h3-7,15,17-18H,1-2,8H2
• InChIKey: QZCUOVVCJWJNMV-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 77.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.37
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?

The IUPAC name of [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 175538963) is [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.

What is the SMILES notation for [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?

The canonical SMILES for [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1cc2c(cn1)c(-c1cnc3c(F)cc(F)cn13)nn2C(F)C(F)F)N1CCOC(C(F)(F)F)C1.

What is the InChIKey of [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?

The InChIKey is QZCUOVVCJWJNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F8N6O2/c22-9-3-11(23)19-31-6-14(34(19)7-9)16-10-5-30-12(4-13(10)35(32-16)18(26)17(24)25)20(36)33-1-2-37-15(8-33)21(27,28)29/h3-7,15,17-18H,1-2,8H2.

What are the key properties of [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?

[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 534.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 175538963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).