[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone

C21H14F5N9O2 — CID 169165432

About [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone

[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 169165432) has the molecular formula C21H14F5N9O2 and a molecular weight of 519.39 g/mol. Its IUPAC name is [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

• Compound Name: [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone
• PubChem CID: 169165432
• Molecular Formula: C21H14F5N9O2
• Molecular Weight: 519.39 g/mol
• Exact Mass: 519.12
• IUPAC Name: [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone
• SMILES: O=C(c1nnc(-c2cnn(C(F)(F)F)c2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(C(F)F)cccn2n1
• InChI: InChI=1S/C21H14F5N9O2/c22-17(23)11-2-1-4-34-14(11)6-13(32-34)16-15-12(27-9-28-15)3-5-33(16)20(36)19-31-30-18(37-19)10-7-29-35(8-10)21(24,25)26/h1-2,4,6-9,16-17H,3,5H2,(H,27,28)/t16-/m1/s1
• InChIKey: MQONHLPIRMARDR-MRXNPFEDSA-N
• XLogP: 3.51
• TPSA: 123.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.39
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone?

The IUPAC name of [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone (CID 169165432) is [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone.

What is the SMILES notation for [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone?

The canonical SMILES for [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(-c2cnn(C(F)(F)F)c2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2c(C(F)F)cccn2n1.

What is the InChIKey of [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone?

The InChIKey is MQONHLPIRMARDR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H14F5N9O2/c22-17(23)11-2-1-4-34-14(11)6-13(32-34)16-15-12(27-9-28-15)3-5-33(16)20(36)19-31-30-18(37-19)10-7-29-35(8-10)21(24,25)26/h1-2,4,6-9,16-17H,3,5H2,(H,27,28)/t16-/m1/s1.

What are the key properties of [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone?

[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 519.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 169165432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).