(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C19H24FN3O2 — CID 124961212

IUPAC(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1c(C(=O)N2CC[C@](O)(CN3CCCC3)C2)cc2cc(F)ccc21
InChIInChI=1S/C19H24FN3O2/c1-21-16-5-4-15(20)10-14(16)11-17(21)18(24)23-9-6-19(25,13-23)12-22-7-2-3-8-22/h4-5,10-11,25H,2-3,6-9,12-13H2,1H3/t19-/m0/s1
InChIKeyHABCHLNPKUTNGP-IBGZPJMESA-N
MW345.42 g/mol
LogP1.99
Rot. Bonds3

About (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 124961212) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID124961212
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1c(C(=O)N2CC[C@](O)(CN3CCCC3)C2)cc2cc(F)ccc21
InChIInChI=1S/C19H24FN3O2/c1-21-16-5-4-15(20)10-14(16)11-17(21)18(24)23-9-6-19(25,13-23)12-22-7-2-3-8-22/h4-5,10-11,25H,2-3,6-9,12-13H2,1H3/t19-/m0/s1
InChIKeyHABCHLNPKUTNGP-IBGZPJMESA-N
XLogP1.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
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7-(cyclobutylmethyl)-2-(5-fluoro-1-methylindole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
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(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
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(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
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[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 124961212) is (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is Cn1c(C(=O)N2CC[C@](O)(CN3CCCC3)C2)cc2cc(F)ccc21.
What is the InChIKey of (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HABCHLNPKUTNGP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-21-16-5-4-15(20)10-14(16)11-17(21)18(24)23-9-6-19(25,13-23)12-22-7-2-3-8-22/h4-5,10-11,25H,2-3,6-9,12-13H2,1H3/t19-/m0/s1.
What are the key properties of (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 345.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124961212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).