[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C20H16F3N7O2 — CID 170332434

About [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170332434) has the molecular formula C20H16F3N7O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 170332434
• Molecular Formula: C20H16F3N7O2
• Molecular Weight: 443.39 g/mol
• Exact Mass: 443.13
• IUPAC Name: [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: O=C(c1nnc(C2CC(F)(F)C2)o1)N1CCc2[nH]cnc2C1c1cc2c(F)cccn2n1
• InChI: InChI=1S/C20H16F3N7O2/c21-11-2-1-4-30-14(11)6-13(28-30)16-15-12(24-9-25-15)3-5-29(16)19(31)18-27-26-17(32-18)10-7-20(22,23)8-10/h1-2,4,6,9-10,16H,3,5,7-8H2,(H,24,25)
• InChIKey: DTFZUNKMKAEFPC-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 105.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.39
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170332434) is [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

What is the SMILES notation for [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1nnc(C2CC(F)(F)C2)o1)N1CCc2[nH]cnc2C1c1cc2c(F)cccn2n1.

What is the InChIKey of [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is DTFZUNKMKAEFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O2/c21-11-2-1-4-30-14(11)6-13(28-30)16-15-12(24-9-25-15)3-5-29(16)19(31)18-27-26-17(32-18)10-7-20(22,23)8-10/h1-2,4,6,9-10,16H,3,5,7-8H2,(H,24,25).

What are the key properties of [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 443.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170332434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).