(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide

C20H15FN4O2S — CID 58582182

IUPAC(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2cc3c(-c4cc5ccccc5s4)n[nH]c3cc2F)N1
InChIInChI=1S/C20H15FN4O2S/c21-12-9-14-11(8-15(12)23-20(27)13-5-6-18(26)22-13)19(25-24-14)17-7-10-3-1-2-4-16(10)28-17/h1-4,7-9,13H,5-6H2,(H,22,26)(H,23,27)(H,24,25)/t13-/m1/s1
InChIKeyKTLQCIRCBRWMHP-CYBMUJFWSA-N
MW394.43 g/mol
LogP3.80
Rot. Bonds3

About (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 58582182) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID58582182
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2cc3c(-c4cc5ccccc5s4)n[nH]c3cc2F)N1
InChIInChI=1S/C20H15FN4O2S/c21-12-9-14-11(8-15(12)23-20(27)13-5-6-18(26)22-13)19(25-24-14)17-7-10-3-1-2-4-16(10)28-17/h1-4,7-9,13H,5-6H2,(H,22,26)(H,23,27)(H,24,25)/t13-/m1/s1
InChIKeyKTLQCIRCBRWMHP-CYBMUJFWSA-N
XLogP3.80
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide (CID 58582182) is (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)Nc2cc3c(-c4cc5ccccc5s4)n[nH]c3cc2F)N1.
What is the InChIKey of (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KTLQCIRCBRWMHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-12-9-14-11(8-15(12)23-20(27)13-5-6-18(26)22-13)19(25-24-14)17-7-10-3-1-2-4-16(10)28-17/h1-4,7-9,13H,5-6H2,(H,22,26)(H,23,27)(H,24,25)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 58582182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).