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

C22H20N8O — CID 176928821

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

2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 176928821) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
• PubChem CID: 176928821
• Molecular Formula: C22H20N8O
• Molecular Weight: 412.46 g/mol
• Exact Mass: 412.18
• IUPAC Name: 2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
• SMILES: Cc1cc(-c2nnc(N3CCc4[nH]cnc4[C@H]3c3cc4c(C)cccn4n3)o2)ccn1
• InChI: InChI=1S/C22H20N8O/c1-13-4-3-8-30-18(13)11-17(28-30)20-19-16(24-12-25-19)6-9-29(20)22-27-26-21(31-22)15-5-7-23-14(2)10-15/h3-5,7-8,10-12,20H,6,9H2,1-2H3,(H,24,25)/t20-/m1/s1
• InChIKey: WLGMLKMVDQUHMT-HXUWFJFHSA-N
• XLogP: 3.27
• 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	412.46
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole (CID 176928821) is 2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole.

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

The canonical SMILES for 2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole is Cc1cc(-c2nnc(N3CCc4[nH]cnc4[C@H]3c3cc4c(C)cccn4n3)o2)ccn1.

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

The InChIKey is WLGMLKMVDQUHMT-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N8O/c1-13-4-3-8-30-18(13)11-17(28-30)20-19-16(24-12-25-19)6-9-29(20)22-27-26-21(31-22)15-5-7-23-14(2)10-15/h3-5,7-8,10-12,20H,6,9H2,1-2H3,(H,24,25)/t20-/m1/s1.

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

2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 412.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 176928821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).