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

C39H37Cl2N7O3 — CID 140933790

IUPAC2-[[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
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccn5cc(CN6CC7(CCC(=O)N7)C6)nc5c4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C39H37Cl2N7O3/c1-51-37-25(17-46-20-38(21-46)13-10-33(49)44-38)8-9-31(43-37)30-7-3-6-29(36(30)41)28-5-2-4-27(35(28)40)24-12-15-48-19-26(42-32(48)16-24)18-47-22-39(23-47)14-11-34(50)45-39/h2-9,12,15-16,19H,10-11,13-14,17-18,20-23H2,1H3,(H,44,49)(H,45,50)
InChIKeyHSRCDBIWOATWHG-UHFFFAOYSA-N
MW722.68 g/mol
LogP5.97
Rot. Bonds8

About 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

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 (PubChem CID 140933790) has the molecular formula C39H37Cl2N7O3 and a molecular weight of 722.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID140933790
Molecular FormulaC39H37Cl2N7O3
Molecular Weight722.68 g/mol
Exact Mass721.23
IUPAC Name2-[[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
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccn5cc(CN6CC7(CCC(=O)N7)C6)nc5c4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C39H37Cl2N7O3/c1-51-37-25(17-46-20-38(21-46)13-10-33(49)44-38)8-9-31(43-37)30-7-3-6-29(36(30)41)28-5-2-4-27(35(28)40)24-12-15-48-19-26(42-32(48)16-24)18-47-22-39(23-47)14-11-34(50)45-39/h2-9,12,15-16,19H,10-11,13-14,17-18,20-23H2,1H3,(H,44,49)(H,45,50)
InChIKeyHSRCDBIWOATWHG-UHFFFAOYSA-N
XLogP5.97
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.68
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146198755
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
(5S)-5-[[[6-[2-chloro-3-[2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 175347854
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-[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-[[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-[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-[[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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(-c2cccc(-c3cccc(-c4ccn5cc(CN6CC7(CCC(=O)N7)C6)nc5c4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.
What is the InChIKey of 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?
The InChIKey is HSRCDBIWOATWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37Cl2N7O3/c1-51-37-25(17-46-20-38(21-46)13-10-33(49)44-38)8-9-31(43-37)30-7-3-6-29(36(30)41)28-5-2-4-27(35(28)40)24-12-15-48-19-26(42-32(48)16-24)18-47-22-39(23-47)14-11-34(50)45-39/h2-9,12,15-16,19H,10-11,13-14,17-18,20-23H2,1H3,(H,44,49)(H,45,50).
What are the key properties of 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?
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 has a molecular weight of 722.68 g/mol, XLogP of 5.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140933790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).