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

C17H16FN5O2S — CID 90489285

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)sc1C
InChIInChI=1S/C17H16FN5O2S/c1-8-9(2)26-17(19-8)20-16(25)10-6-13(24)23(7-10)15-14-11(18)4-3-5-12(14)21-22-15/h3-5,10H,6-7H2,1-2H3,(H,21,22)(H,19,20,25)
InChIKeyPNQOLQORCXXDMW-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.77
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489285) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489285
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)sc1C
InChIInChI=1S/C17H16FN5O2S/c1-8-9(2)26-17(19-8)20-16(25)10-6-13(24)23(7-10)15-14-11(18)4-3-5-12(14)21-22-15/h3-5,10H,6-7H2,1-2H3,(H,21,22)(H,19,20,25)
InChIKeyPNQOLQORCXXDMW-UHFFFAOYSA-N
XLogP2.77
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489285) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1nc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PNQOLQORCXXDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-8-9(2)26-17(19-8)20-16(25)10-6-13(24)23(7-10)15-14-11(18)4-3-5-12(14)21-22-15/h3-5,10H,6-7H2,1-2H3,(H,21,22)(H,19,20,25).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).