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

C15H13FN6O2S — CID 75466110

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1
InChIInChI=1S/C15H13FN6O2S/c1-7-18-21-15(25-7)17-14(24)8-5-11(23)22(6-8)13-12-9(16)3-2-4-10(12)19-20-13/h2-4,8H,5-6H2,1H3,(H,19,20)(H,17,21,24)
InChIKeyGZCCTRCVHCKQLO-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.85
Rot. Bonds3

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

1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 75466110) has the molecular formula C15H13FN6O2S and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID75466110
Molecular FormulaC15H13FN6O2S
Molecular Weight360.37 g/mol
Exact Mass360.08
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1
InChIInChI=1S/C15H13FN6O2S/c1-7-18-21-15(25-7)17-14(24)8-5-11(23)22(6-8)13-12-9(16)3-2-4-10(12)19-20-13/h2-4,8H,5-6H2,1H3,(H,19,20)(H,17,21,24)
InChIKeyGZCCTRCVHCKQLO-UHFFFAOYSA-N
XLogP1.85
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 75466110) is 1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1nnc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GZCCTRCVHCKQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O2S/c1-7-18-21-15(25-7)17-14(24)8-5-11(23)22(6-8)13-12-9(16)3-2-4-10(12)19-20-13/h2-4,8H,5-6H2,1H3,(H,19,20)(H,17,21,24).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75466110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).