3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide

C20H23FN4O2 — CID 57378275

IUPAC3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)Cc3ccc(F)cc32)n1
InChIInChI=1S/C20H23FN4O2/c1-24-9-8-18(23-24)22-20(27)17(10-13-4-2-3-5-13)25-16-12-15(21)7-6-14(16)11-19(25)26/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,22,23,27)
InChIKeyFITOFWPIUKFEGA-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.04
Rot. Bonds5

About 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide

3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 57378275) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID57378275
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)Cc3ccc(F)cc32)n1
InChIInChI=1S/C20H23FN4O2/c1-24-9-8-18(23-24)22-20(27)17(10-13-4-2-3-5-13)25-16-12-15(21)7-6-14(16)11-19(25)26/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,22,23,27)
InChIKeyFITOFWPIUKFEGA-UHFFFAOYSA-N
XLogP3.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide (CID 57378275) is 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)Cc3ccc(F)cc32)n1.
What is the InChIKey of 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is FITOFWPIUKFEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-24-9-8-18(23-24)22-20(27)17(10-13-4-2-3-5-13)25-16-12-15(21)7-6-14(16)11-19(25)26/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,22,23,27).
What are the key properties of 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 370.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(6-fluoro-2-oxo-3H-indol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 57378275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).