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

C38H38Cl2N6O4 — CID 146206664

IUPAC2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCNC6=O)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCNC2=O)C1
InChIInChI=1S/C38H38Cl2N6O4/c1-49-33-23(17-45-19-37(20-45)13-15-41-35(37)47)9-11-29(43-33)27-7-3-5-25(31(27)39)26-6-4-8-28(32(26)40)30-12-10-24(34(44-30)50-2)18-46-21-38(22-46)14-16-42-36(38)48/h3-12H,13-22H2,1-2H3,(H,41,47)(H,42,48)
InChIKeyVQIFXUZONHNCOA-UHFFFAOYSA-N
MW713.67 g/mol
LogP5.45
Rot. Bonds9

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

2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one (PubChem CID 146206664) has the molecular formula C38H38Cl2N6O4 and a molecular weight of 713.67 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one
PubChem CID146206664
Molecular FormulaC38H38Cl2N6O4
Molecular Weight713.67 g/mol
Exact Mass712.23
IUPAC Name2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCNC6=O)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCNC2=O)C1
InChIInChI=1S/C38H38Cl2N6O4/c1-49-33-23(17-45-19-37(20-45)13-15-41-35(37)47)9-11-29(43-33)27-7-3-5-25(31(27)39)26-6-4-8-28(32(26)40)30-12-10-24(34(44-30)50-2)18-46-21-38(22-46)14-16-42-36(38)48/h3-12H,13-22H2,1-2H3,(H,41,47)(H,42,48)
InChIKeyVQIFXUZONHNCOA-UHFFFAOYSA-N
XLogP5.45
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.67
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one?
The IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one (CID 146206664) is 2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one.
What is the SMILES notation for 2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one?
The canonical SMILES for 2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCNC6=O)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCNC2=O)C1.
What is the InChIKey of 2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one?
The InChIKey is VQIFXUZONHNCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38Cl2N6O4/c1-49-33-23(17-45-19-37(20-45)13-15-41-35(37)47)9-11-29(43-33)27-7-3-5-25(31(27)39)26-6-4-8-28(32(26)40)30-12-10-24(34(44-30)50-2)18-46-21-38(22-46)14-16-42-36(38)48/h3-12H,13-22H2,1-2H3,(H,41,47)(H,42,48).
What are the key properties of 2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one?
2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one has a molecular weight of 713.67 g/mol, XLogP of 5.45, 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-3-[6-methoxy-5-[(5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.4]octan-5-one is sourced from PubChem (CID 146206664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).