(1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

C15H17FN2O2 — CID 131928377

IUPAC(1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cccc2cc(C(=O)N3C[C@@H](O)[C@H](F)C3)n(C)c12
InChIInChI=1S/C15H17FN2O2/c1-9-4-3-5-10-6-12(17(2)14(9)10)15(20)18-7-11(16)13(19)8-18/h3-6,11,13,19H,7-8H2,1-2H3/t11-,13-/m1/s1
InChIKeyHQKHCHYFMKGIIF-DGCLKSJQSA-N
MW276.31 g/mol
LogP1.64
Rot. Bonds1

About (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

(1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 131928377) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID131928377
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cccc2cc(C(=O)N3C[C@@H](O)[C@H](F)C3)n(C)c12
InChIInChI=1S/C15H17FN2O2/c1-9-4-3-5-10-6-12(17(2)14(9)10)15(20)18-7-11(16)13(19)8-18/h3-6,11,13,19H,7-8H2,1-2H3/t11-,13-/m1/s1
InChIKeyHQKHCHYFMKGIIF-DGCLKSJQSA-N
XLogP1.64
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 72848626
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CID 172673171
3-[(3R)-1-(1,7-dimethylindole-2-carbonyl)piperidin-3-yl]benzoic acid
CID 97190753
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CID 72888830
(1,7-dimethylindol-2-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118763779
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[6-(2-fluoro-3-methylphenyl)naphthalen-2-yl]methanone
CID 172661042
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CID 97148687
2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
CID 110835889
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide
CID 110852739
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
7-(7-chloro-1-methylindole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 119062772

Frequently Asked Questions

What is the IUPAC name of (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (CID 131928377) is (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is Cc1cccc2cc(C(=O)N3C[C@@H](O)[C@H](F)C3)n(C)c12.
What is the InChIKey of (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is HQKHCHYFMKGIIF-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9-4-3-5-10-6-12(17(2)14(9)10)15(20)18-7-11(16)13(19)8-18/h3-6,11,13,19H,7-8H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
(1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 276.31 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dimethylindol-2-yl)-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 131928377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).