(4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone

C19H19FN2O2 — CID 155550883

IUPAC(4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone
SMILESCN1c2ccccc2C2(O)CCCN(C(=O)c3ccccc3F)C12
InChIInChI=1S/C19H19FN2O2/c1-21-16-10-5-3-8-14(16)19(24)11-6-12-22(18(19)21)17(23)13-7-2-4-9-15(13)20/h2-5,7-10,18,24H,6,11-12H2,1H3
InChIKeyBZJZKHOOPYZDRD-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.73
Rot. Bonds1

About (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone

(4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone (PubChem CID 155550883) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone
PubChem CID155550883
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone
SMILESCN1c2ccccc2C2(O)CCCN(C(=O)c3ccccc3F)C12
InChIInChI=1S/C19H19FN2O2/c1-21-16-10-5-3-8-14(16)19(24)11-6-12-22(18(19)21)17(23)13-7-2-4-9-15(13)20/h2-5,7-10,18,24H,6,11-12H2,1H3
InChIKeyBZJZKHOOPYZDRD-UHFFFAOYSA-N
XLogP2.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone
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CID 61051030
1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one
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1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
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(2-fluorophenyl)-(2-methyl-1,4-diazepan-1-yl)methanone
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[(3aS,7aS)-1-(4-fluorophenyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-4-yl]-(2-fluorophenyl)methanone
CID 155999241
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527
(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606058
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
(2-fluorophenyl)-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79537046

Frequently Asked Questions

What is the IUPAC name of (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone (CID 155550883) is (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone is CN1c2ccccc2C2(O)CCCN(C(=O)c3ccccc3F)C12.
What is the InChIKey of (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone?
The InChIKey is BZJZKHOOPYZDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-21-16-10-5-3-8-14(16)19(24)11-6-12-22(18(19)21)17(23)13-7-2-4-9-15(13)20/h2-5,7-10,18,24H,6,11-12H2,1H3.
What are the key properties of (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone?
(4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone has a molecular weight of 326.37 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 155550883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).