3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine

C120H145N13O9 — CID 158383161

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine
SMILESc1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCC2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCCC2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCCO2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCO2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)NCCC2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)OCCC2
InChIInChI=1S/C21H26N2O.C20H25N3O.2C20H24N2O2.C20H24N2O.C19H22N2O2/c1-2-4-19-11-16(7-8-18(19)3-1)5-6-17-12-21(14-22-13-17)24-15-20-9-10-23-20;1-2-17-6-5-15(11-20(17)23-8-1)3-4-16-10-19(13-21-12-16)24-14-18-7-9-22-18;1-2-17-6-5-15(11-20(17)23-9-1)3-4-16-10-19(13-21-12-16)24-14-18-7-8-22-18;1-2-17-10-15(5-6-20(17)23-9-1)3-4-16-11-19(13-21-12-16)24-14-18-7-8-22-18;1-2-17-7-6-15(10-18(17)3-1)4-5-16-11-20(13-21-12-16)23-14-19-8-9-22-19;1(14-3-4-19-16(9-14)6-8-22-19)2-15-10-18(12-20-11-15)23-13-17-5-7-21-17/h7-8,11-14,20,23H,1-6,9-10,15H2;5-6,10-13,18,22-23H,1-4,7-9,14H2;2*5-6,10-13,18,22H,1-4,7-9,14H2;6-7,10-13,19,22H,1-5,8-9,14H2;3-4,9-12,17,21H,1-2,5-8,13H2/t20-;3*18-;19-;17-/m000000/s1
InChIKeyGWASTXPIRUBOGS-XHXLPGPGSA-N
MW1913.56 g/mol
LogP17.96
Rot. Bonds36

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine (PubChem CID 158383161) has the molecular formula C120H145N13O9 and a molecular weight of 1913.56 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine
PubChem CID158383161
Molecular FormulaC120H145N13O9
Molecular Weight1913.56 g/mol
Exact Mass1912.13
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine
SMILESc1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCC2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCCC2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCCO2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCO2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)NCCC2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)OCCC2
InChIInChI=1S/C21H26N2O.C20H25N3O.2C20H24N2O2.C20H24N2O.C19H22N2O2/c1-2-4-19-11-16(7-8-18(19)3-1)5-6-17-12-21(14-22-13-17)24-15-20-9-10-23-20;1-2-17-6-5-15(11-20(17)23-8-1)3-4-16-10-19(13-21-12-16)24-14-18-7-9-22-18;1-2-17-6-5-15(11-20(17)23-9-1)3-4-16-10-19(13-21-12-16)24-14-18-7-8-22-18;1-2-17-10-15(5-6-20(17)23-9-1)3-4-16-11-19(13-21-12-16)24-14-18-7-8-22-18;1-2-17-7-6-15(10-18(17)3-1)4-5-16-11-20(13-21-12-16)23-14-19-8-9-22-19;1(14-3-4-19-16(9-14)6-8-22-19)2-15-10-18(12-20-11-15)23-13-17-5-7-21-17/h7-8,11-14,20,23H,1-6,9-10,15H2;5-6,10-13,18,22-23H,1-4,7-9,14H2;2*5-6,10-13,18,22H,1-4,7-9,14H2;6-7,10-13,19,22H,1-5,8-9,14H2;3-4,9-12,17,21H,1-2,5-8,13H2/t20-;3*18-;19-;17-/m000000/s1
InChIKeyGWASTXPIRUBOGS-XHXLPGPGSA-N
XLogP17.96
TPSA244.62 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001913.56
LogP ≤ 517.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine (CID 158383161) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine is c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCC2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCCC2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCCO2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCO2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)NCCC2.c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)OCCC2.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine?
The InChIKey is GWASTXPIRUBOGS-XHXLPGPGSA-N. The full InChI is InChI=1S/C21H26N2O.C20H25N3O.2C20H24N2O2.C20H24N2O.C19H22N2O2/c1-2-4-19-11-16(7-8-18(19)3-1)5-6-17-12-21(14-22-13-17)24-15-20-9-10-23-20;1-2-17-6-5-15(11-20(17)23-8-1)3-4-16-10-19(13-21-12-16)24-14-18-7-9-22-18;1-2-17-6-5-15(11-20(17)23-9-1)3-4-16-10-19(13-21-12-16)24-14-18-7-8-22-18;1-2-17-10-15(5-6-20(17)23-9-1)3-4-16-11-19(13-21-12-16)24-14-18-7-8-22-18;1-2-17-7-6-15(10-18(17)3-1)4-5-16-11-20(13-21-12-16)23-14-19-8-9-22-19;1(14-3-4-19-16(9-14)6-8-22-19)2-15-10-18(12-20-11-15)23-13-17-5-7-21-17/h7-8,11-14,20,23H,1-6,9-10,15H2;5-6,10-13,18,22-23H,1-4,7-9,14H2;2*5-6,10-13,18,22H,1-4,7-9,14H2;6-7,10-13,19,22H,1-5,8-9,14H2;3-4,9-12,17,21H,1-2,5-8,13H2/t20-;3*18-;19-;17-/m000000/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine has a molecular weight of 1913.56 g/mol, XLogP of 17.96, 36 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,4-dihydro-2H-chromen-7-yl)ethyl]pyridine;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridine;7-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline;3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine is sourced from PubChem (CID 158383161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).