2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one

C38H37Cl2FN6O4 — CID 146207097

IUPAC2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(-c3c(F)ccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C38H37Cl2FN6O4/c1-50-35-22(16-46-18-37(19-46)14-12-30(48)44-37)6-10-28(42-35)24-4-3-5-26(33(24)39)32-27(41)9-8-25(34(32)40)29-11-7-23(36(43-29)51-2)17-47-20-38(21-47)15-13-31(49)45-38/h3-11H,12-21H2,1-2H3,(H,44,48)(H,45,49)
InChIKeyISVGKHCGAKVLKB-UHFFFAOYSA-N
MW731.66 g/mol
LogP5.87
Rot. Bonds9

About 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one

2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 146207097) has the molecular formula C38H37Cl2FN6O4 and a molecular weight of 731.66 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]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-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID146207097
Molecular FormulaC38H37Cl2FN6O4
Molecular Weight731.66 g/mol
Exact Mass730.22
IUPAC Name2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(-c3c(F)ccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C38H37Cl2FN6O4/c1-50-35-22(16-46-18-37(19-46)14-12-30(48)44-37)6-10-28(42-35)24-4-3-5-26(33(24)39)32-27(41)9-8-25(34(32)40)29-11-7-23(36(43-29)51-2)17-47-20-38(21-47)15-13-31(49)45-38/h3-11H,12-21H2,1-2H3,(H,44,48)(H,45,49)
InChIKeyISVGKHCGAKVLKB-UHFFFAOYSA-N
XLogP5.87
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.66
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]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-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]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-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 146207097) is 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]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-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]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-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is COc1nc(-c2cccc(-c3c(F)ccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1.
What is the InChIKey of 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is ISVGKHCGAKVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37Cl2FN6O4/c1-50-35-22(16-46-18-37(19-46)14-12-30(48)44-37)6-10-28(42-35)24-4-3-5-26(33(24)39)32-27(41)9-8-25(34(32)40)29-11-7-23(36(43-29)51-2)17-47-20-38(21-47)15-13-31(49)45-38/h3-11H,12-21H2,1-2H3,(H,44,48)(H,45,49).
What are the key properties of 2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[[6-[2-chloro-3-[2-chloro-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 731.66 g/mol, XLogP of 5.87, 9 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-6-fluoro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146207097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).