(3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide

C₃₄H₃₆N₈O₄S — CID 154968059

About (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide

(3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 154968059) has the molecular formula C₃₄H₃₆N₈O₄S and a molecular weight of 652.78 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
• PubChem CID: 154968059
• Molecular Formula: C₃₄H₃₆N₈O₄S
• Molecular Weight: 652.78 g/mol
• Exact Mass: 652.26
• IUPAC Name: (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
• SMILES: CCN(C(=O)[C@@H]1CCN(CC(=O)N2CC=C(c3ccc(-c4nn(C)c(=O)o4)cc3)CC2)C1)c1ccc2[nH]nc(-c3cnc(C)s3)c2c1
• InChI: InChI=1S/C34H36N8O4S/c1-4-42(26-9-10-28-27(17-26)31(37-36-28)29-18-35-21(2)47-29)33(44)25-11-14-40(19-25)20-30(43)41-15-12-23(13-16-41)22-5-7-24(8-6-22)32-38-39(3)34(45)46-32/h5-10,12,17-18,25H,4,11,13-16,19-20H2,1-3H3,(H,36,37)/t25-/m1/s1
• InChIKey: PAXDKXATYAFNKW-RUZDIDTESA-N
• XLogP: 4.34
• TPSA: 133.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.78
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide (CID 154968059) is (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide is CCN(C(=O)[C@@H]1CCN(CC(=O)N2CC=C(c3ccc(-c4nn(C)c(=O)o4)cc3)CC2)C1)c1ccc2[nH]nc(-c3cnc(C)s3)c2c1.

What is the InChIKey of (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide?

The InChIKey is PAXDKXATYAFNKW-RUZDIDTESA-N. The full InChI is InChI=1S/C34H36N8O4S/c1-4-42(26-9-10-28-27(17-26)31(37-36-28)29-18-35-21(2)47-29)33(44)25-11-14-40(19-25)20-30(43)41-15-12-23(13-16-41)22-5-7-24(8-6-22)32-38-39(3)34(45)46-32/h5-10,12,17-18,25H,4,11,13-16,19-20H2,1-3H3,(H,36,37)/t25-/m1/s1.

What are the key properties of (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide?

(3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 652.78 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-ethyl-1-[2-[4-[4-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154968059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154968059 — identifiers, structure, computed properties (public domain)

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