(6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone

C16H19FN2O3 — CID 128984786

IUPAC(6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3c(C)cc(F)cc3[nH]2)C1
InChIInChI=1S/C16H19FN2O3/c1-9-3-10(17)4-14-13(9)6-15(18-14)16(21)19-7-12(22-2)5-11(19)8-20/h3-4,6,11-12,18,20H,5,7-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyNTPGCAGHWQKVIA-NWDGAFQWSA-N
MW306.34 g/mol
LogP1.84
Rot. Bonds3

About (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone

(6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone (PubChem CID 128984786) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
PubChem CID128984786
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name(6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3c(C)cc(F)cc3[nH]2)C1
InChIInChI=1S/C16H19FN2O3/c1-9-3-10(17)4-14-13(9)6-15(18-14)16(21)19-7-12(22-2)5-11(19)8-20/h3-4,6,11-12,18,20H,5,7-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyNTPGCAGHWQKVIA-NWDGAFQWSA-N
XLogP1.84
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-4-(4-fluorophenyl)phenyl]-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985164
(2-chloro-4-fluorophenyl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985191
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 128971128
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 155954106
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128985416
(2-chloro-4,5-difluorophenyl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128990376
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 128985419
(4-fluoronaphthalen-1-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128990385
(4-bromo-2-fluorophenyl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985553
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128983104
2-(2,4-difluorophenyl)-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]ethanone
CID 128984802
(4-methoxy-3,5-dimethylphenyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984379

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone?
The IUPAC name of (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone (CID 128984786) is (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone is CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3c(C)cc(F)cc3[nH]2)C1.
What is the InChIKey of (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone?
The InChIKey is NTPGCAGHWQKVIA-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-9-3-10(17)4-14-13(9)6-15(18-14)16(21)19-7-12(22-2)5-11(19)8-20/h3-4,6,11-12,18,20H,5,7-8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone?
(6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone has a molecular weight of 306.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-methyl-1H-indol-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 128984786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).