N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C22H20FN5O2 — CID 90489390

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)C1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C22H20FN5O2/c23-15-5-6-18-17(10-15)13(11-25-18)7-8-24-22(30)14-9-20(29)28(12-14)21-16-3-1-2-4-19(16)26-27-21/h1-6,10-11,14,25H,7-9,12H2,(H,24,30)(H,26,27)
InChIKeyLNXXBCBTHCIXTI-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489390) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489390
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)C1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C22H20FN5O2/c23-15-5-6-18-17(10-15)13(11-25-18)7-8-24-22(30)14-9-20(29)28(12-14)21-16-3-1-2-4-19(16)26-27-21/h1-6,10-11,14,25H,7-9,12H2,(H,24,30)(H,26,27)
InChIKeyLNXXBCBTHCIXTI-UHFFFAOYSA-N
XLogP2.90
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489390) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)C1CC(=O)N(c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LNXXBCBTHCIXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-15-5-6-18-17(10-15)13(11-25-18)7-8-24-22(30)14-9-20(29)28(12-14)21-16-3-1-2-4-19(16)26-27-21/h1-6,10-11,14,25H,7-9,12H2,(H,24,30)(H,26,27).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).