2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C122H132ClN27O7S — CID 160785173

About 2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 160785173) has the molecular formula C122H132ClN27O7S and a molecular weight of 2156.10 g/mol. Its IUPAC name is 2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-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-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• PubChem CID: 160785173
• Molecular Formula: C122H132ClN27O7S
• Molecular Weight: 2156.10 g/mol
• Exact Mass: 2154.02
• IUPAC Name: 2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• SMILES: C#CCc1cc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)ccc1Cl.CCn1cnc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)n1.CCn1cnnc1C1(c2nnc3c(C(C)(C)O)cccn23)CC1.Cc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)o1.Cc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)s1.Cn1cccc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
• InChI: InChI=1S/C23H24N4O2.C23H24N4OS.C23H24N4O.C21H20ClN3O.2C16H20N6O/c2*1-14-19(29-15(2)24-14)16-7-9-17(10-8-16)23(11-12-23)21-26-25-20-18(22(3,4)28)6-5-13-27(20)21;1-22(2,28)18-6-4-15-27-20(18)24-25-21(27)23(12-13-23)17-10-8-16(9-11-17)19-7-5-14-26(19)3;1-4-6-14-13-15(8-9-17(14)22)21(10-11-21)19-24-23-18-16(20(2,3)26)7-5-12-25(18)19;1-4-21-10-17-19-13(21)16(7-8-16)14-20-18-12-11(15(2,3)23)6-5-9-22(12)14;1-4-21-10-17-13(20-21)16(7-8-16)14-19-18-12-11(15(2,3)23)6-5-9-22(12)14/h2*5-10,13,28H,11-12H2,1-4H3;4-11,14-15,28H,12-13H2,1-3H3;1,5,7-9,12-13,26H,6,10-11H2,2-3H3;2*5-6,9-10,23H,4,7-8H2,1-3H3
• InChIKey: SBCKWWMIJLJVRR-UHFFFAOYSA-N
• XLogP: 20.29
• TPSA: 407.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2156.10
LogP ≤ 5	20.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-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-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 160785173) is 2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-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-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-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-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is C#CCc1cc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)ccc1Cl.CCn1cnc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)n1.CCn1cnnc1C1(c2nnc3c(C(C)(C)O)cccn23)CC1.Cc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)o1.Cc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)s1.Cn1cccc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.

What is the InChIKey of 2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The InChIKey is SBCKWWMIJLJVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.C23H24N4OS.C23H24N4O.C21H20ClN3O.2C16H20N6O/c2*1-14-19(29-15(2)24-14)16-7-9-17(10-8-16)23(11-12-23)21-26-25-20-18(22(3,4)28)6-5-13-27(20)21;1-22(2,28)18-6-4-15-27-20(18)24-25-21(27)23(12-13-23)17-10-8-16(9-11-17)19-7-5-14-26(19)3;1-4-6-14-13-15(8-9-17(14)22)21(10-11-21)19-24-23-18-16(20(2,3)26)7-5-12-25(18)19;1-4-21-10-17-19-13(21)16(7-8-16)14-20-18-12-11(15(2,3)23)6-5-9-22(12)14;1-4-21-10-17-13(20-21)16(7-8-16)14-19-18-12-11(15(2,3)23)6-5-9-22(12)14/h2*5-10,13,28H,11-12H2,1-4H3;4-11,14-15,28H,12-13H2,1-3H3;1,5,7-9,12-13,26H,6,10-11H2,2-3H3;2*5-6,9-10,23H,4,7-8H2,1-3H3.

What are the key properties of 2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 2156.10 g/mol, XLogP of 20.29, 24 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-(4-chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 160785173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).