(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C17H15FN6O2S — CID 99754422

About (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 99754422) has the molecular formula C17H15FN6O2S and a molecular weight of 386.41 g/mol. Its IUPAC name is (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 99754422
• Molecular Formula: C17H15FN6O2S
• Molecular Weight: 386.41 g/mol
• Exact Mass: 386.10
• IUPAC Name: (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
• SMILES: O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
• InChI: InChI=1S/C17H15FN6O2S/c18-10-2-1-3-11-13(10)14(21-20-11)24-7-9(6-12(24)25)15(26)19-17-23-22-16(27-17)8-4-5-8/h1-3,8-9H,4-7H2,(H,20,21)(H,19,23,26)/t9-/m1/s1
• InChIKey: FFQHIYORWPDVIC-SECBINFHSA-N
• XLogP: 2.42
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.41
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 99754422) is (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.

What is the InChIKey of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is FFQHIYORWPDVIC-SECBINFHSA-N. The full InChI is InChI=1S/C17H15FN6O2S/c18-10-2-1-3-11-13(10)14(21-20-11)24-7-9(6-12(24)25)15(26)19-17-23-22-16(27-17)8-4-5-8/h1-3,8-9H,4-7H2,(H,20,21)(H,19,23,26)/t9-/m1/s1.

What are the key properties of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?

(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99754422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).