(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C20H16FN5O2S — CID 99754418

IUPAC(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)sc2c1
InChIInChI=1S/C20H16FN5O2S/c1-10-5-6-13-15(7-10)29-20(22-13)23-19(28)11-8-16(27)26(9-11)18-17-12(21)3-2-4-14(17)24-25-18/h2-7,11H,8-9H2,1H3,(H,24,25)(H,22,23,28)/t11-/m1/s1
InChIKeyWGKBLJYWLWWOQI-LLVKDONJSA-N
MW409.45 g/mol
LogP3.61
Rot. Bonds3

About (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 99754418) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID99754418
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC Name(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)sc2c1
InChIInChI=1S/C20H16FN5O2S/c1-10-5-6-13-15(7-10)29-20(22-13)23-19(28)11-8-16(27)26(9-11)18-17-12(21)3-2-4-14(17)24-25-18/h2-7,11H,8-9H2,1H3,(H,24,25)(H,22,23,28)/t11-/m1/s1
InChIKeyWGKBLJYWLWWOQI-LLVKDONJSA-N
XLogP3.61
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489294
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489292
1-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17310627
(3R)-N-(3,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754349
(3R)-N-(3-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754399
methyl 2-[[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71708577
(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754422
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 99758678
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 75465635
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351076
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 71827888
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489297

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 99754418) is (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)sc2c1.
What is the InChIKey of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WGKBLJYWLWWOQI-LLVKDONJSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-10-5-6-13-15(7-10)29-20(22-13)23-19(28)11-8-16(27)26(9-11)18-17-12(21)3-2-4-14(17)24-25-18/h2-7,11H,8-9H2,1H3,(H,24,25)(H,22,23,28)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99754418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).