[4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone

C33H35FN2O — CID 58172880

IUPAC[4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC2=C(Cc3ccccc32)C12CCC(c1cccc(F)c1)(N(C)C)CC2
InChIInChI=1S/C33H35FN2O/c1-23-9-4-6-13-27(23)31(37)36-20-15-29-28-14-7-5-10-24(28)21-30(29)33(36)18-16-32(17-19-33,35(2)3)25-11-8-12-26(34)22-25/h4-14,22H,15-21H2,1-3H3
InChIKeyXFEBOUWTGBDRMO-UHFFFAOYSA-N
MW494.65 g/mol
LogP6.76
Rot. Bonds3

About [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone

[4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone (PubChem CID 58172880) has the molecular formula C33H35FN2O and a molecular weight of 494.65 g/mol. Its IUPAC name is [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone
PubChem CID58172880
Molecular FormulaC33H35FN2O
Molecular Weight494.65 g/mol
Exact Mass494.27
IUPAC Name[4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC2=C(Cc3ccccc32)C12CCC(c1cccc(F)c1)(N(C)C)CC2
InChIInChI=1S/C33H35FN2O/c1-23-9-4-6-13-27(23)31(37)36-20-15-29-28-14-7-5-10-24(28)21-30(29)33(36)18-16-32(17-19-33,35(2)3)25-11-8-12-26(34)22-25/h4-14,22H,15-21H2,1-3H3
InChIKeyXFEBOUWTGBDRMO-UHFFFAOYSA-N
XLogP6.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.65
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone (CID 58172880) is [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC2=C(Cc3ccccc32)C12CCC(c1cccc(F)c1)(N(C)C)CC2.
What is the InChIKey of [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone?
The InChIKey is XFEBOUWTGBDRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN2O/c1-23-9-4-6-13-27(23)31(37)36-20-15-29-28-14-7-5-10-24(28)21-30(29)33(36)18-16-32(17-19-33,35(2)3)25-11-8-12-26(34)22-25/h4-14,22H,15-21H2,1-3H3.
What are the key properties of [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone?
[4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone has a molecular weight of 494.65 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[4,9-dihydro-3H-indeno[2,1-c]pyridine-1,1'-cyclohexane]-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 58172880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).