1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol

C26H27ClN2O2 — CID 166809144

IUPAC1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol
SMILESCOc1nc(-c2cccc(-c3cccc4c3CCC4)c2Cl)ccc1CN1CC(C)(O)C1
InChIInChI=1S/C26H27ClN2O2/c1-26(30)15-29(16-26)14-18-12-13-23(28-25(18)31-2)22-11-5-10-21(24(22)27)20-9-4-7-17-6-3-8-19(17)20/h4-5,7,9-13,30H,3,6,8,14-16H2,1-2H3
InChIKeyNHKWOVJHOTVJII-UHFFFAOYSA-N
MW434.97 g/mol
LogP5.13
Rot. Bonds5

About 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol

1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol (PubChem CID 166809144) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol
PubChem CID166809144
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol
SMILESCOc1nc(-c2cccc(-c3cccc4c3CCC4)c2Cl)ccc1CN1CC(C)(O)C1
InChIInChI=1S/C26H27ClN2O2/c1-26(30)15-29(16-26)14-18-12-13-23(28-25(18)31-2)22-11-5-10-21(24(22)27)20-9-4-7-17-6-3-8-19(17)20/h4-5,7,9-13,30H,3,6,8,14-16H2,1-2H3
InChIKeyNHKWOVJHOTVJII-UHFFFAOYSA-N
XLogP5.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-3-methoxypyrazin-2-yl]methyl]-3-methylazetidin-3-ol
CID 166809131
N-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylcyclobutan-1-amine
CID 170086656
2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.3]heptane
CID 146250861
6-[[6-[2-chloro-3-[2-chloro-3-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-1,6-diazaspiro[3.3]heptane
CID 146250656
1-[[5-[2-chloro-3-[2-chloro-3-[5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-3-methylazetidin-3-ol
CID 139430383
N-[2-chloro-3-[2-chloro-3-[5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 156575531
(3S)-1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid
CID 140933759
2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione
CID 146207053
1-[4-[[6-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 146207008
1-[4-[[6-[2-chloro-3-[2-chloro-3-[5-[[2-(2-hydroxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]piperazin-1-yl]-2-hydroxyethanone
CID 146207117
(2S)-2-[[6-[[(1S)-4-[2-chloro-3-[5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]methylamino]propanoic acid
CID 146297256
2-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetic acid
CID 158448013

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol (CID 166809144) is 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol is COc1nc(-c2cccc(-c3cccc4c3CCC4)c2Cl)ccc1CN1CC(C)(O)C1.
What is the InChIKey of 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol?
The InChIKey is NHKWOVJHOTVJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-26(30)15-29(16-26)14-18-12-13-23(28-25(18)31-2)22-11-5-10-21(24(22)27)20-9-4-7-17-6-3-8-19(17)20/h4-5,7,9-13,30H,3,6,8,14-16H2,1-2H3.
What are the key properties of 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol?
1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol has a molecular weight of 434.97 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2-methoxy-3-pyridinyl]methyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 166809144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).