(3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one

C17H17FN2O2 — CID 94179761

IUPAC(3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one
SMILESO=C1OCC[C@H]1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C17H17FN2O2/c18-12-1-2-13-14(10-19-15(13)9-12)11-3-6-20(7-4-11)16-5-8-22-17(16)21/h1-3,9-10,16,19H,4-8H2/t16-/m1/s1
InChIKeyTYRPSKRGXFNRAH-MRXNPFEDSA-N
MW300.33 g/mol
LogP2.71
Rot. Bonds2

About (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one

(3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one (PubChem CID 94179761) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one
PubChem CID94179761
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name(3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one
SMILESO=C1OCC[C@H]1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C17H17FN2O2/c18-12-1-2-13-14(10-19-15(13)9-12)11-3-6-20(7-4-11)16-5-8-22-17(16)21/h1-3,9-10,16,19H,4-8H2/t16-/m1/s1
InChIKeyTYRPSKRGXFNRAH-MRXNPFEDSA-N
XLogP2.71
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one?
The IUPAC name of (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one (CID 94179761) is (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one?
The canonical SMILES for (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one is O=C1OCC[C@H]1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one?
The InChIKey is TYRPSKRGXFNRAH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-12-1-2-13-14(10-19-15(13)9-12)11-3-6-20(7-4-11)16-5-8-22-17(16)21/h1-3,9-10,16,19H,4-8H2/t16-/m1/s1.
What are the key properties of (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one?
(3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one has a molecular weight of 300.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]oxolan-2-one is sourced from PubChem (CID 94179761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).