N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C19H20FN5O2S — CID 90489301

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)n1
InChIInChI=1S/C19H20FN5O2S/c1-19(2,3)13-9-28-18(21-13)22-17(27)10-7-14(26)25(8-10)16-15-11(20)5-4-6-12(15)23-24-16/h4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,21,22,27)
InChIKeyFLYAFVKPOKONMF-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.45
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489301) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489301
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)n1
InChIInChI=1S/C19H20FN5O2S/c1-19(2,3)13-9-28-18(21-13)22-17(27)10-7-14(26)25(8-10)16-15-11(20)5-4-6-12(15)23-24-16/h4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,21,22,27)
InChIKeyFLYAFVKPOKONMF-UHFFFAOYSA-N
XLogP3.45
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489301) is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CC(C)(C)c1csc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FLYAFVKPOKONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-19(2,3)13-9-28-18(21-13)22-17(27)10-7-14(26)25(8-10)16-15-11(20)5-4-6-12(15)23-24-16/h4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,21,22,27).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).