2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone

C18H18FN3O — CID 172901641

IUPAC2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2ccc(F)cn2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H18FN3O/c19-15-5-6-17(20-11-15)21-9-7-14(12-21)18(23)22-10-8-13-3-1-2-4-16(13)22/h1-6,11,14H,7-10,12H2
InChIKeyPONQDDXJVWLNRI-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.64
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone (PubChem CID 172901641) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone
PubChem CID172901641
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2ccc(F)cn2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H18FN3O/c19-15-5-6-17(20-11-15)21-9-7-14(12-21)18(23)22-10-8-13-3-1-2-4-16(13)22/h1-6,11,14H,7-10,12H2
InChIKeyPONQDDXJVWLNRI-UHFFFAOYSA-N
XLogP2.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902056
2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 172901325
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone
CID 172903825
2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172891744
2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
CID 172901973

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone (CID 172901641) is 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone is O=C(C1CCN(c2ccc(F)cn2)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone?
The InChIKey is PONQDDXJVWLNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-5-6-17(20-11-15)21-9-7-14(12-21)18(23)22-10-8-13-3-1-2-4-16(13)22/h1-6,11,14H,7-10,12H2.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone has a molecular weight of 311.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 172901641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).