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

C21H17FN8O — CID 176928691

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

2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 176928691) has the molecular formula C21H17FN8O and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
• PubChem CID: 176928691
• Molecular Formula: C21H17FN8O
• Molecular Weight: 416.42 g/mol
• Exact Mass: 416.15
• IUPAC Name: 2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
• SMILES: Cc1ccc(-c2nnc(N3CCc4[nH]cnc4[C@@H]3c3cc4c(F)cccn4n3)o2)cn1
• InChI: InChI=1S/C21H17FN8O/c1-12-4-5-13(10-23-12)20-26-27-21(31-20)29-8-6-15-18(25-11-24-15)19(29)16-9-17-14(22)3-2-7-30(17)28-16/h2-5,7,9-11,19H,6,8H2,1H3,(H,24,25)/t19-/m0/s1
• InChIKey: ZJWYXAVPZPMACC-IBGZPJMESA-N
• XLogP: 3.10
• TPSA: 101.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.42
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole (CID 176928691) is 2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole.

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

The canonical SMILES for 2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(N3CCc4[nH]cnc4[C@@H]3c3cc4c(F)cccn4n3)o2)cn1.

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

The InChIKey is ZJWYXAVPZPMACC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17FN8O/c1-12-4-5-13(10-23-12)20-26-27-21(31-20)29-8-6-15-18(25-11-24-15)19(29)16-9-17-14(22)3-2-7-30(17)28-16/h2-5,7,9-11,19H,6,8H2,1H3,(H,24,25)/t19-/m0/s1.

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

2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 416.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 176928691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).