3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one

C40H41Cl2N5O5 — CID 147268395

IUPAC3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCC(=O)C6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(N2CCOC2=O)C1
InChIInChI=1S/C40H41Cl2N5O5/c1-50-37-25(20-45-16-14-27(22-45)47-17-18-52-39(47)49)9-11-33(43-37)31-7-3-5-29(35(31)41)30-6-4-8-32(36(30)42)34-12-10-26(38(44-34)51-2)21-46-23-40(24-46)15-13-28(48)19-40/h3-12,27H,13-24H2,1-2H3
InChIKeyCPXZDMXOFURYLA-UHFFFAOYSA-N
MW742.70 g/mol
LogP7.38
Rot. Bonds10

About 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one

3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 147268395) has the molecular formula C40H41Cl2N5O5 and a molecular weight of 742.70 g/mol. Its IUPAC name is 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID147268395
Molecular FormulaC40H41Cl2N5O5
Molecular Weight742.70 g/mol
Exact Mass741.25
IUPAC Name3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCC(=O)C6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(N2CCOC2=O)C1
InChIInChI=1S/C40H41Cl2N5O5/c1-50-37-25(20-45-16-14-27(22-45)47-17-18-52-39(47)49)9-11-33(43-37)31-7-3-5-29(35(31)41)30-6-4-8-32(36(30)42)34-12-10-26(38(44-34)51-2)21-46-23-40(24-46)15-13-28(48)19-40/h3-12,27H,13-24H2,1-2H3
InChIKeyCPXZDMXOFURYLA-UHFFFAOYSA-N
XLogP7.38
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.70
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetic acid
CID 158448013
1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]azetidine-3-carboxylic acid
CID 158165645
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
(3aS,7aR)-6-[[6-[3-[3-[5-[[(3aR,7aS)-2-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-2-one
CID 146206833
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-[(1S)-1-[2-chloro-5-methoxy-4-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]phenoxy]-2,3-dihydro-1H-inden-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2-azaspiro[3.4]octan-6-one
CID 160659661
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
(3aS,7aR)-6-[[6-[3-[3-[5-[[(4aR,7aS)-6-oxo-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-2-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-2-one
CID 159943775
1-[2-[6-[[(1R)-4-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]methyl]-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethyl]cyclopropane-1-carboxylic acid
CID 158510653
2-[[6-[2-chloro-3-[4-chloro-5-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]-3-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 170696812
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
1-[4-[[6-[2-chloro-3-[2-chloro-3-[5-[[2-(2-hydroxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]piperazin-1-yl]-2-hydroxyethanone
CID 146207117

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 147268395) is 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCC(=O)C6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(N2CCOC2=O)C1.
What is the InChIKey of 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is CPXZDMXOFURYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41Cl2N5O5/c1-50-37-25(20-45-16-14-27(22-45)47-17-18-52-39(47)49)9-11-33(43-37)31-7-3-5-29(35(31)41)30-6-4-8-32(36(30)42)34-12-10-26(38(44-34)51-2)21-46-23-40(24-46)15-13-28(48)19-40/h3-12,27H,13-24H2,1-2H3.
What are the key properties of 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 742.70 g/mol, XLogP of 7.38, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 147268395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).