1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

C22H15F5N6O2 — CID 150991998

About 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (PubChem CID 150991998) has the molecular formula C22H15F5N6O2 and a molecular weight of 490.39 g/mol. Its IUPAC name is 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
• PubChem CID: 150991998
• Molecular Formula: C22H15F5N6O2
• Molecular Weight: 490.39 g/mol
• Exact Mass: 490.12
• IUPAC Name: 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
• SMILES: O=C(c1cc2c(cn1)c(-c1cnc3c(F)cc(F)cn13)nn2CC(F)(F)F)N1C=C2COCC2C1
• InChI: InChI=1S/C22H15F5N6O2/c23-13-1-15(24)20-29-4-18(32(20)7-13)19-14-3-28-16(2-17(14)33(30-19)10-22(25,26)27)21(34)31-5-11-8-35-9-12(11)6-31/h1-5,7,12H,6,8-10H2
• InChIKey: LSHRCMHXAPOVQY-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 77.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.39
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?

The IUPAC name of 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (CID 150991998) is 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

What is the SMILES notation for 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?

The canonical SMILES for 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is O=C(c1cc2c(cn1)c(-c1cnc3c(F)cc(F)cn13)nn2CC(F)(F)F)N1C=C2COCC2C1.

What is the InChIKey of 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?

The InChIKey is LSHRCMHXAPOVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N6O2/c23-13-1-15(24)20-29-4-18(32(20)7-13)19-14-3-28-16(2-17(14)33(30-19)10-22(25,26)27)21(34)31-5-11-8-35-9-12(11)6-31/h1-5,7,12H,6,8-10H2.

What are the key properties of 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?

1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone has a molecular weight of 490.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,6,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 150991998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).