2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C46H46ClN7O4 — CID 91287441

About 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 91287441) has the molecular formula C46H46ClN7O4 and a molecular weight of 796.37 g/mol. Its IUPAC name is 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• PubChem CID: 91287441
• Molecular Formula: C46H46ClN7O4
• Molecular Weight: 796.37 g/mol
• Exact Mass: 795.33
• IUPAC Name: 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• SMILES: Cc1coc(C)c1-c1cc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)ccc1Cl.Cc1ncoc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
• InChI: InChI=1S/C24H24ClN3O2.C22H22N4O2/c1-14-13-30-15(2)20(14)17-12-16(7-8-19(17)25)24(9-10-24)22-27-26-21-18(23(3,4)29)6-5-11-28(21)22;1-14-18(28-13-23-14)15-6-8-16(9-7-15)22(10-11-22)20-25-24-19-17(21(2,3)27)5-4-12-26(19)20/h5-8,11-13,29H,9-10H2,1-4H3;4-9,12-13,27H,10-11H2,1-3H3
• InChIKey: CVYQVQKIJQVNPG-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 140.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	796.37
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The IUPAC name of 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 91287441) is 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

What is the SMILES notation for 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The canonical SMILES for 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is Cc1coc(C)c1-c1cc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)ccc1Cl.Cc1ncoc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.

What is the InChIKey of 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The InChIKey is CVYQVQKIJQVNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2.C22H22N4O2/c1-14-13-30-15(2)20(14)17-12-16(7-8-19(17)25)24(9-10-24)22-27-26-21-18(23(3,4)29)6-5-11-28(21)22;1-14-18(28-13-23-14)15-6-8-16(9-7-15)22(10-11-22)20-25-24-19-17(21(2,3)27)5-4-12-26(19)20/h5-8,11-13,29H,9-10H2,1-4H3;4-9,12-13,27H,10-11H2,1-3H3.

What are the key properties of 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 796.37 g/mol, XLogP of 9.57, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[4-chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 91287441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).