1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H20FN5O2 — CID 75465614

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C22H20FN5O2/c23-16-5-3-7-18-20(16)21(27-26-18)28-12-14(10-19(28)29)22(30)24-9-8-13-11-25-17-6-2-1-4-15(13)17/h1-7,11,14,25H,8-10,12H2,(H,24,30)(H,26,27)
InChIKeyGCPAYUHHLFWKQF-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 75465614) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID75465614
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C22H20FN5O2/c23-16-5-3-7-18-20(16)21(27-26-18)28-12-14(10-19(28)29)22(30)24-9-8-13-11-25-17-6-2-1-4-15(13)17/h1-7,11,14,25H,8-10,12H2,(H,24,30)(H,26,27)
InChIKeyGCPAYUHHLFWKQF-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 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 75465614) is 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GCPAYUHHLFWKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-16-5-3-7-18-20(16)21(27-26-18)28-12-14(10-19(28)29)22(30)24-9-8-13-11-25-17-6-2-1-4-15(13)17/h1-7,11,14,25H,8-10,12H2,(H,24,30)(H,26,27).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-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 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75465614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).