N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C19H23FN4O2 — CID 71706548

IUPACN-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C19H23FN4O2/c20-14-8-5-9-15-17(14)18(23-22-15)24-11-12(10-16(24)25)19(26)21-13-6-3-1-2-4-7-13/h5,8-9,12-13H,1-4,6-7,10-11H2,(H,21,26)(H,22,23)
InChIKeyNFVAFQYTRHPGPT-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.89
Rot. Bonds3

About N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71706548) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71706548
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C19H23FN4O2/c20-14-8-5-9-15-17(14)18(23-22-15)24-11-12(10-16(24)25)19(26)21-13-6-3-1-2-4-7-13/h5,8-9,12-13H,1-4,6-7,10-11H2,(H,21,26)(H,22,23)
InChIKeyNFVAFQYTRHPGPT-UHFFFAOYSA-N
XLogP2.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 71706548) is N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCCCCC1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NFVAFQYTRHPGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-14-8-5-9-15-17(14)18(23-22-15)24-11-12(10-16(24)25)19(26)21-13-6-3-1-2-4-7-13/h5,8-9,12-13H,1-4,6-7,10-11H2,(H,21,26)(H,22,23).
What are the key properties of N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71706548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).