1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H28FN5O2 — CID 133108766

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)C1CC(=O)N(C2NNC3CCCCC32)C1
InChIInChI=1S/C22H28FN5O2/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/h5-6,10-11,14,16,19,21,25-27H,1-4,7-9,12H2,(H,24,30)
InChIKeyWPRBSVZSFKFEET-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.81
Rot. Bonds5

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 133108766) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID133108766
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)C1CC(=O)N(C2NNC3CCCCC32)C1
InChIInChI=1S/C22H28FN5O2/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/h5-6,10-11,14,16,19,21,25-27H,1-4,7-9,12H2,(H,24,30)
InChIKeyWPRBSVZSFKFEET-UHFFFAOYSA-N
XLogP1.81
TPSA89.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
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CID 78154019
1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17310667
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014659
1-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 49408553
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 42562425
(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557184
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 134125960
(3S)-1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51572628
1-(2,6-difluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113192260
1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42882027

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 133108766) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)C1CC(=O)N(C2NNC3CCCCC32)C1.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WPRBSVZSFKFEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/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/h5-6,10-11,14,16,19,21,25-27H,1-4,7-9,12H2,(H,24,30).
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 133108766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).