6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one

C20H26FN3O — CID 70969326

IUPAC6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCC1(N2CCC(N3C(=O)C4(CC4)c4ccc(F)cc43)CC2)CCNC1
InChIInChI=1S/C20H26FN3O/c1-19(8-9-22-13-19)23-10-4-15(5-11-23)24-17-12-14(21)2-3-16(17)20(6-7-20)18(24)25/h2-3,12,15,22H,4-11,13H2,1H3
InChIKeyWTFVZRNADSEEBH-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.42
Rot. Bonds2

About 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one

6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 70969326) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID70969326
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCC1(N2CCC(N3C(=O)C4(CC4)c4ccc(F)cc43)CC2)CCNC1
InChIInChI=1S/C20H26FN3O/c1-19(8-9-22-13-19)23-10-4-15(5-11-23)24-17-12-14(21)2-3-16(17)20(6-7-20)18(24)25/h2-3,12,15,22H,4-11,13H2,1H3
InChIKeyWTFVZRNADSEEBH-UHFFFAOYSA-N
XLogP2.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one (CID 70969326) is 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one is CC1(N2CCC(N3C(=O)C4(CC4)c4ccc(F)cc43)CC2)CCNC1.
What is the InChIKey of 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is WTFVZRNADSEEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-19(8-9-22-13-19)23-10-4-15(5-11-23)24-17-12-14(21)2-3-16(17)20(6-7-20)18(24)25/h2-3,12,15,22H,4-11,13H2,1H3.
What are the key properties of 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one?
6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 343.45 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-fluoro-1'-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 70969326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).