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

C21H25FN2O3 — CID 52532061

IUPAC(2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H25FN2O3/c1-14(27-13-17-3-2-10-26-17)21(25)24-8-6-15(7-9-24)19-12-23-20-11-16(22)4-5-18(19)20/h4-6,11-12,14,17,23H,2-3,7-10,13H2,1H3/t14-,17+/m0/s1
InChIKeySBXYPNPRCOQFAX-WMLDXEAASA-N
MW372.44 g/mol
LogP3.51
Rot. Bonds5

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

(2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one (PubChem CID 52532061) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
PubChem CID52532061
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name(2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H25FN2O3/c1-14(27-13-17-3-2-10-26-17)21(25)24-8-6-15(7-9-24)19-12-23-20-11-16(22)4-5-18(19)20/h4-6,11-12,14,17,23H,2-3,7-10,13H2,1H3/t14-,17+/m0/s1
InChIKeySBXYPNPRCOQFAX-WMLDXEAASA-N
XLogP3.51
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfanylpropan-1-one
CID 56815883
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 60516211
[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55733853
(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 95045762
2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 56813191
(4S)-4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazolidin-2-one
CID 124505944
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 75452399
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 60516414
[6-(cyclopropylmethylamino)-3-pyridinyl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146075595
4-butoxy-N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]benzamide
CID 60516358

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
The IUPAC name of (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one (CID 52532061) is (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one.
What is the SMILES notation for (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
The canonical SMILES for (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one is C[C@H](OC[C@H]1CCCO1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
The InChIKey is SBXYPNPRCOQFAX-WMLDXEAASA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-14(27-13-17-3-2-10-26-17)21(25)24-8-6-15(7-9-24)19-12-23-20-11-16(22)4-5-18(19)20/h4-6,11-12,14,17,23H,2-3,7-10,13H2,1H3/t14-,17+/m0/s1.
What are the key properties of (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
(2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one has a molecular weight of 372.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one is sourced from PubChem (CID 52532061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).