N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C24H38F4N4O — CID 167380524

IUPACN-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CC(F)CC(N4CCC5(CCNCC5(F)F)C4)C3)NC12
InChIInChI=1S/C24H38F4N4O/c1-14-2-3-19(26)18-11-20(31-21(14)18)22(33)30-16-8-15(25)9-17(10-16)32-7-5-23(13-32)4-6-29-12-24(23,27)28/h14-21,29,31H,2-13H2,1H3,(H,30,33)
InChIKeyASQFKBVXNWOLEA-UHFFFAOYSA-N
MW474.59 g/mol
LogP2.80
Rot. Bonds3

About N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167380524) has the molecular formula C24H38F4N4O and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167380524
Molecular FormulaC24H38F4N4O
Molecular Weight474.59 g/mol
Exact Mass474.30
IUPAC NameN-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CC(F)CC(N4CCC5(CCNCC5(F)F)C4)C3)NC12
InChIInChI=1S/C24H38F4N4O/c1-14-2-3-19(26)18-11-20(31-21(14)18)22(33)30-16-8-15(25)9-17(10-16)32-7-5-23(13-32)4-6-29-12-24(23,27)28/h14-21,29,31H,2-13H2,1H3,(H,30,33)
InChIKeyASQFKBVXNWOLEA-UHFFFAOYSA-N
XLogP2.80
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[3-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147951633
N-[3-(1-acetyl-4-methylpiperidin-4-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348704
N-[(3R,5R)-5-(4-acetylpiperazin-1-yl)-1-methylpiperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348441
N-[(1R,3R)-3-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348662
N-[3-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147238814
N-[(1R,3R)-3-(3-acetamidopyrrolidin-1-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380446
N-[(1R,3R)-3-(4-acetyl-3-methylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348529
4-fluoro-N-[3-(4-methoxypiperidin-1-yl)cyclohexyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 146955310
N-[(1R,3R)-3-[(3R)-4-acetyl-3-(trifluoromethyl)piperazin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348453
N-[3-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380431
4-fluoro-7-methyl-N-[4-(4-methylpiperazin-1-yl)piperidin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 148681012
4-fluoro-N-[3-[4-(2-fluoroacetyl)piperazin-1-yl]cyclohexyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380577

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167380524) is N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCC(F)C2CC(C(=O)NC3CC(F)CC(N4CCC5(CCNCC5(F)F)C4)C3)NC12.
What is the InChIKey of N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is ASQFKBVXNWOLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F4N4O/c1-14-2-3-19(26)18-11-20(31-21(14)18)22(33)30-16-8-15(25)9-17(10-16)32-7-5-23(13-32)4-6-29-12-24(23,27)28/h14-21,29,31H,2-13H2,1H3,(H,30,33).
What are the key properties of N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,6-difluoro-2,8-diazaspiro[4.5]decan-2-yl)-5-fluorocyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167380524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).