1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone

C19H22FN3O — CID 84588305

IUPAC1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccc(F)cc12)N1CC2CN3CCCCC3C2C1
InChIInChI=1S/C19H22FN3O/c20-13-4-5-17-14(7-13)15(8-21-17)19(24)23-10-12-9-22-6-2-1-3-18(22)16(12)11-23/h4-5,7-8,12,16,18,21H,1-3,6,9-11H2
InChIKeyRDSUPURHQBAGSY-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.86
Rot. Bonds1

About 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone

1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone (PubChem CID 84588305) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone
PubChem CID84588305
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccc(F)cc12)N1CC2CN3CCCCC3C2C1
InChIInChI=1S/C19H22FN3O/c20-13-4-5-17-14(7-13)15(8-21-17)19(24)23-10-12-9-22-6-2-1-3-18(22)16(12)11-23/h4-5,7-8,12,16,18,21H,1-3,6,9-11H2
InChIKeyRDSUPURHQBAGSY-UHFFFAOYSA-N
XLogP2.86
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone with MolForge

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Related Compounds

1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
3-[(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-6-fluoro-1H-quinolin-4-one
CID 124939093
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
2-[(3aS,9aS,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-N-(5-fluoro-2-methylphenyl)-2-oxoacetamide
CID 129432107
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 63116363

Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone (CID 84588305) is 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccc(F)cc12)N1CC2CN3CCCCC3C2C1.
What is the InChIKey of 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone?
The InChIKey is RDSUPURHQBAGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-13-4-5-17-14(7-13)15(8-21-17)19(24)23-10-12-9-22-6-2-1-3-18(22)16(12)11-23/h4-5,7-8,12,16,18,21H,1-3,6,9-11H2.
What are the key properties of 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone?
1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone has a molecular weight of 327.40 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl-(5-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 84588305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).