[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone

C19H19N3O2 — CID 110203307

IUPAC[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1C[C@@H](CO)[C@H](c2ccccn2)C1
InChIInChI=1S/C19H19N3O2/c23-12-13-10-22(11-16(13)18-5-1-2-8-20-18)19(24)15-4-3-6-17-14(15)7-9-21-17/h1-9,13,16,21,23H,10-12H2/t13-,16+/m0/s1
InChIKeyXJYHSBQGTMVSEL-XJKSGUPXSA-N
MW321.38 g/mol
LogP2.41
Rot. Bonds3

About [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone

[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone (PubChem CID 110203307) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone
PubChem CID110203307
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1C[C@@H](CO)[C@H](c2ccccn2)C1
InChIInChI=1S/C19H19N3O2/c23-12-13-10-22(11-16(13)18-5-1-2-8-20-18)19(24)15-4-3-6-17-14(15)7-9-21-17/h1-9,13,16,21,23H,10-12H2/t13-,16+/m0/s1
InChIKeyXJYHSBQGTMVSEL-XJKSGUPXSA-N
XLogP2.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110203400
(2-chloro-5-fluorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 110203332
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70204070
(3,4-dimethylphenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 110203371
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110203319
[3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 156611412
2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 110203331
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
(3S,4S)-1-(1H-indole-4-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
CID 110197910
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
The IUPAC name of [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone (CID 110203307) is [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
The canonical SMILES for [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone is O=C(c1cccc2[nH]ccc12)N1C[C@@H](CO)[C@H](c2ccccn2)C1.
What is the InChIKey of [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
The InChIKey is XJYHSBQGTMVSEL-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-12-13-10-22(11-16(13)18-5-1-2-8-20-18)19(24)15-4-3-6-17-14(15)7-9-21-17/h1-9,13,16,21,23H,10-12H2/t13-,16+/m0/s1.
What are the key properties of [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone is sourced from PubChem (CID 110203307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).