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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one

C39H37Cl2F2N5O4 — CID 146207075

IUPAC2-[[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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC(F)F)c4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C39H37Cl2F2N5O4/c1-51-36-25(18-48-21-39(22-48)15-13-33(50)46-39)10-11-30(44-36)29-7-3-6-28(35(29)41)27-5-2-4-26(34(27)40)23-8-9-24(31(16-23)52-37(42)43)17-47-19-38(20-47)14-12-32(49)45-38/h2-11,16,37H,12-15,17-22H2,1H3,(H,45,49)(H,46,50)
InChIKeyIETMXFUVPUWGJX-UHFFFAOYSA-N
MW748.66 g/mol
LogP6.93
Rot. Bonds10

About 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one

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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 146207075) has the molecular formula C39H37Cl2F2N5O4 and a molecular weight of 748.66 g/mol. Its IUPAC name is 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID146207075
Molecular FormulaC39H37Cl2F2N5O4
Molecular Weight748.66 g/mol
Exact Mass747.22
IUPAC Name2-[[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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC(F)F)c4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C39H37Cl2F2N5O4/c1-51-36-25(18-48-21-39(22-48)15-13-33(50)46-39)10-11-30(44-36)29-7-3-6-28(35(29)41)27-5-2-4-26(34(27)40)23-8-9-24(31(16-23)52-37(42)43)17-47-19-38(20-47)14-12-32(49)45-38/h2-11,16,37H,12-15,17-22H2,1H3,(H,45,49)(H,46,50)
InChIKeyIETMXFUVPUWGJX-UHFFFAOYSA-N
XLogP6.93
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.66
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 146207075) is 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC(F)F)c4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.
What is the InChIKey of 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is IETMXFUVPUWGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37Cl2F2N5O4/c1-51-36-25(18-48-21-39(22-48)15-13-33(50)46-39)10-11-30(44-36)29-7-3-6-28(35(29)41)27-5-2-4-26(34(27)40)23-8-9-24(31(16-23)52-37(42)43)17-47-19-38(20-47)14-12-32(49)45-38/h2-11,16,37H,12-15,17-22H2,1H3,(H,45,49)(H,46,50).
What are the key properties of 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 748.66 g/mol, XLogP of 6.93, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(difluoromethoxy)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146207075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).