2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole

C30H32N6OS — CID 139472469

About 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole

2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole (PubChem CID 139472469) has the molecular formula C30H32N6OS and a molecular weight of 524.69 g/mol. Its IUPAC name is 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• PubChem CID: 139472469
• Molecular Formula: C30H32N6OS
• Molecular Weight: 524.69 g/mol
• Exact Mass: 524.24
• IUPAC Name: 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• SMILES: C/C=C\c1c(CN2CCC[C@@H](c3nnc(-c4ccc5[nH]nc(-c6ccnc(C)c6)c5c4)o3)C2)csc1CC
• InChI: InChI=1S/C30H32N6OS/c1-4-7-24-23(18-38-27(24)5-2)17-36-13-6-8-22(16-36)30-35-34-29(37-30)21-9-10-26-25(15-21)28(33-32-26)20-11-12-31-19(3)14-20/h4,7,9-12,14-15,18,22H,5-6,8,13,16-17H2,1-3H3,(H,32,33)/b7-4-/t22-/m1/s1
• InChIKey: FYCDKOKXHBWZNM-VWTGBZJHSA-N
• XLogP: 7.02
• TPSA: 83.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.69
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole (CID 139472469) is 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole is C/C=C\c1c(CN2CCC[C@@H](c3nnc(-c4ccc5[nH]nc(-c6ccnc(C)c6)c5c4)o3)C2)csc1CC.

What is the InChIKey of 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The InChIKey is FYCDKOKXHBWZNM-VWTGBZJHSA-N. The full InChI is InChI=1S/C30H32N6OS/c1-4-7-24-23(18-38-27(24)5-2)17-36-13-6-8-22(16-36)30-35-34-29(37-30)21-9-10-26-25(15-21)28(33-32-26)20-11-12-31-19(3)14-20/h4,7,9-12,14-15,18,22H,5-6,8,13,16-17H2,1-3H3,(H,32,33)/b7-4-/t22-/m1/s1.

What are the key properties of 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 524.69 g/mol, XLogP of 7.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-1-[[5-ethyl-4-[(Z)-prop-1-enyl]thiophen-3-yl]methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 139472469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).