2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole

C22H18F2N8O — CID 169165861

About 2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole

2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole (PubChem CID 169165861) has the molecular formula C22H18F2N8O and a molecular weight of 448.44 g/mol. Its IUPAC name is 2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole
• PubChem CID: 169165861
• Molecular Formula: C22H18F2N8O
• Molecular Weight: 448.44 g/mol
• Exact Mass: 448.16
• IUPAC Name: 2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole
• SMILES: Cc1cccnc1-c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(C(F)F)cccn3n2)o1
• InChI: InChI=1S/C22H18F2N8O/c1-12-4-2-7-25-17(12)21-28-29-22(33-21)31-9-6-14-18(27-11-26-14)19(31)15-10-16-13(20(23)24)5-3-8-32(16)30-15/h2-5,7-8,10-11,19-20H,6,9H2,1H3,(H,26,27)/t19-/m1/s1
• InChIKey: LZPKXCFMCGHMKJ-LJQANCHMSA-N
• XLogP: 3.90
• TPSA: 101.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.44
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole (CID 169165861) is 2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole.

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

The canonical SMILES for 2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole is Cc1cccnc1-c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(C(F)F)cccn3n2)o1.

What is the InChIKey of 2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole?

The InChIKey is LZPKXCFMCGHMKJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H18F2N8O/c1-12-4-2-7-25-17(12)21-28-29-22(33-21)31-9-6-14-18(27-11-26-14)19(31)15-10-16-13(20(23)24)5-3-8-32(16)30-15/h2-5,7-8,10-11,19-20H,6,9H2,1H3,(H,26,27)/t19-/m1/s1.

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

2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 448.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 169165861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).