[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone

C26H22N6O3 — CID 169164362

About [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone

[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 169164362) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

• Compound Name: [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
• PubChem CID: 169164362
• Molecular Formula: C26H22N6O3
• Molecular Weight: 466.50 g/mol
• Exact Mass: 466.18
• IUPAC Name: [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
• SMILES: Cc1ncccc1-c1nnc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2oc3ccccc3c2C2CC2)o1
• InChI: InChI=1S/C26H22N6O3/c1-14-16(6-4-11-27-14)24-30-31-25(35-24)26(33)32-12-10-18-21(29-13-28-18)22(32)23-20(15-8-9-15)17-5-2-3-7-19(17)34-23/h2-7,11,13,15,22H,8-10,12H2,1H3,(H,28,29)/t22-/m1/s1
• InChIKey: LQPKQYPOXXEJIV-JOCHJYFZSA-N
• XLogP: 4.57
• TPSA: 113.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.50
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone?

The IUPAC name of [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone (CID 169164362) is [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone.

What is the SMILES notation for [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone?

The canonical SMILES for [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone is Cc1ncccc1-c1nnc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2oc3ccccc3c2C2CC2)o1.

What is the InChIKey of [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone?

The InChIKey is LQPKQYPOXXEJIV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H22N6O3/c1-14-16(6-4-11-27-14)24-30-31-25(35-24)26(33)32-12-10-18-21(29-13-28-18)22(32)23-20(15-8-9-15)17-5-2-3-7-19(17)34-23/h2-7,11,13,15,22H,8-10,12H2,1H3,(H,28,29)/t22-/m1/s1.

What are the key properties of [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone?

[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 466.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 169164362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).