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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one

C38H36Cl2F2N6O4 — CID 146206633

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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2ccc(F)c(-c3c(F)ccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C38H36Cl2F2N6O4/c1-51-35-21(15-47-17-37(18-47)13-11-29(49)45-37)3-9-27(43-35)23-5-7-25(41)31(33(23)39)32-26(42)8-6-24(34(32)40)28-10-4-22(36(44-28)52-2)16-48-19-38(20-48)14-12-30(50)46-38/h3-10H,11-20H2,1-2H3,(H,45,49)(H,46,50)
InChIKeyRAUZXBRSHBKKLL-UHFFFAOYSA-N
MW749.65 g/mol
LogP6.01
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]-4-fluorophenyl]-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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 146206633) has the molecular formula C38H36Cl2F2N6O4 and a molecular weight of 749.65 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]-4-fluorophenyl]-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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID146206633
Molecular FormulaC38H36Cl2F2N6O4
Molecular Weight749.65 g/mol
Exact Mass748.21
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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2ccc(F)c(-c3c(F)ccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C38H36Cl2F2N6O4/c1-51-35-21(15-47-17-37(18-47)13-11-29(49)45-37)3-9-27(43-35)23-5-7-25(41)31(33(23)39)32-26(42)8-6-24(34(32)40)28-10-4-22(36(44-28)52-2)16-48-19-38(20-48)14-12-30(50)46-38/h3-10H,11-20H2,1-2H3,(H,45,49)(H,46,50)
InChIKeyRAUZXBRSHBKKLL-UHFFFAOYSA-N
XLogP6.01
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.65
LogP ≤ 56.01
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]-4-fluorophenyl]-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]-4-fluorophenyl]-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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 146206633) 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]-4-fluorophenyl]-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]-4-fluorophenyl]-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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is COc1nc(-c2ccc(F)c(-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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is RAUZXBRSHBKKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36Cl2F2N6O4/c1-51-35-21(15-47-17-37(18-47)13-11-29(49)45-37)3-9-27(43-35)23-5-7-25(41)31(33(23)39)32-26(42)8-6-24(34(32)40)28-10-4-22(36(44-28)52-2)16-48-19-38(20-48)14-12-30(50)46-38/h3-10H,11-20H2,1-2H3,(H,45,49)(H,46,50).
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]-4-fluorophenyl]-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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 749.65 g/mol, XLogP of 6.01, 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]-4-fluorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146206633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).