2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one

C19H19BrClN3O2 — CID 146198755

IUPAC2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(Br)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C19H19BrClN3O2/c1-26-18-12(9-24-10-19(11-24)8-7-16(25)23-19)5-6-15(22-18)13-3-2-4-14(20)17(13)21/h2-6H,7-11H2,1H3,(H,23,25)
InChIKeyXTSPAZSDVVRHTR-UHFFFAOYSA-N
MW436.74 g/mol
LogP3.64
Rot. Bonds4

About 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one

2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 146198755) has the molecular formula C19H19BrClN3O2 and a molecular weight of 436.74 g/mol. Its IUPAC name is 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID146198755
Molecular FormulaC19H19BrClN3O2
Molecular Weight436.74 g/mol
Exact Mass435.03
IUPAC Name2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(Br)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C19H19BrClN3O2/c1-26-18-12(9-24-10-19(11-24)8-7-16(25)23-19)5-6-15(22-18)13-3-2-4-14(20)17(13)21/h2-6H,7-11H2,1H3,(H,23,25)
InChIKeyXTSPAZSDVVRHTR-UHFFFAOYSA-N
XLogP3.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

2-[[6-[3-[3-[5-[(1S)-1-aminoethyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146206636
2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]oxy]acetonitrile
CID 146198764
2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-(hydroxymethyl)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146206831
2-[[6-[3-[2-bromo-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-2-methylsulfanylphenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146207128
2-[[6-[2-chloro-3-[2-chloro-3-[6-cyclopropyloxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 139430044
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
2-[[6-[2-chloro-3-[2-chloro-3-[2-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 140933790
2-[[6-[2-chloro-3-[2-chloro-3-[6-(cyanomethoxy)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]oxy]acetonitrile
CID 146207093
2-[[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]-2,5-diazaspiro[3.4]octan-6-one
CID 139429450
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
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
2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]acetic acid
CID 146339433

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 146198755) is 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is COc1nc(-c2cccc(Br)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.
What is the InChIKey of 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is XTSPAZSDVVRHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O2/c1-26-18-12(9-24-10-19(11-24)8-7-16(25)23-19)5-6-15(22-18)13-3-2-4-14(20)17(13)21/h2-6H,7-11H2,1H3,(H,23,25).
What are the key properties of 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 436.74 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146198755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).