methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate

C21H21FN2O3 — CID 112841616

IUPACmethyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)oc1C
InChIInChI=1S/C21H21FN2O3/c1-13-18(21(25)26-2)10-16(27-13)12-24-7-5-14(6-8-24)19-11-23-20-9-15(22)3-4-17(19)20/h3-5,9-11,23H,6-8,12H2,1-2H3
InChIKeyVUYPDYWNRSRYAF-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.28
Rot. Bonds4

About methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate (PubChem CID 112841616) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate
PubChem CID112841616
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Namemethyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)oc1C
InChIInChI=1S/C21H21FN2O3/c1-13-18(21(25)26-2)10-16(27-13)12-24-7-5-14(6-8-24)19-11-23-20-9-15(22)3-4-17(19)20/h3-5,9-11,23H,6-8,12H2,1-2H3
InChIKeyVUYPDYWNRSRYAF-UHFFFAOYSA-N
XLogP4.28
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[3-fluoro-4-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-N-hydroxyacetamide
CID 175235317
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
CID 66863463
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 18323653
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 56813191
1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one
CID 70288364
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfanylpropan-1-one
CID 56815883
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 55733728
3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one
CID 60516238
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate (CID 112841616) is methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)oc1C.
What is the InChIKey of methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is VUYPDYWNRSRYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-13-18(21(25)26-2)10-16(27-13)12-24-7-5-14(6-8-24)19-11-23-20-9-15(22)3-4-17(19)20/h3-5,9-11,23H,6-8,12H2,1-2H3.
What are the key properties of methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 112841616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).