(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

C19H23FN2O2 — CID 164696251

IUPAC(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)[nH]c2c(F)cccc12
InChIInChI=1S/C19H23FN2O2/c1-12-13-5-2-6-14(20)17(13)21-16(12)18(24)22-10-4-9-19(11-22)8-3-7-15(19)23/h2,5-6,15,21,23H,3-4,7-11H2,1H3/t15-,19+/m1/s1
InChIKeyCFZPDQCMRIZOHG-BEFAXECRSA-N
MW330.40 g/mol
LogP3.38
Rot. Bonds1

About (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone (PubChem CID 164696251) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
PubChem CID164696251
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)[nH]c2c(F)cccc12
InChIInChI=1S/C19H23FN2O2/c1-12-13-5-2-6-14(20)17(13)21-16(12)18(24)22-10-4-9-19(11-22)8-3-7-15(19)23/h2,5-6,15,21,23H,3-4,7-11H2,1H3/t15-,19+/m1/s1
InChIKeyCFZPDQCMRIZOHG-BEFAXECRSA-N
XLogP3.38
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72879577
(2-chloro-3-methylphenyl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 135101178
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164693392
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
(7-fluoro-3-methyl-1H-indol-2-yl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 157018576
1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628738
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 164698223
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 135093819
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-methyl-5-phenylthiophen-2-yl)methanone
CID 135113087
8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667443
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone
CID 164688862
(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164699456

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone (CID 164696251) is (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone is Cc1c(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)[nH]c2c(F)cccc12.
What is the InChIKey of (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
The InChIKey is CFZPDQCMRIZOHG-BEFAXECRSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12-13-5-2-6-14(20)17(13)21-16(12)18(24)22-10-4-9-19(11-22)8-3-7-15(19)23/h2,5-6,15,21,23H,3-4,7-11H2,1H3/t15-,19+/m1/s1.
What are the key properties of (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone?
(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone has a molecular weight of 330.40 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 164696251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).