2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one

C38H39Cl2N5O4 — CID 170697643

IUPAC2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(CN5CC6(CC(O)C6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)C2)C1
InChIInChI=1S/C38H39Cl2N5O4/c1-48-31-12-23(6-7-24(31)16-44-21-38(22-44)15-32(47)42-18-38)35-34(40)28(10-11-41-35)27-4-3-5-29(33(27)39)30-9-8-25(36(43-30)49-2)17-45-19-37(20-45)13-26(46)14-37/h3-12,26,46H,13-22H2,1-2H3,(H,42,47)
InChIKeyFSABQBXGUMFXJE-UHFFFAOYSA-N
MW700.67 g/mol
LogP6.08
Rot. Bonds9

About 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one

2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 170697643) has the molecular formula C38H39Cl2N5O4 and a molecular weight of 700.67 g/mol. Its IUPAC name is 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
PubChem CID170697643
Molecular FormulaC38H39Cl2N5O4
Molecular Weight700.67 g/mol
Exact Mass699.24
IUPAC Name2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(CN5CC6(CC(O)C6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)C2)C1
InChIInChI=1S/C38H39Cl2N5O4/c1-48-31-12-23(6-7-24(31)16-44-21-38(22-44)15-32(47)42-18-38)35-34(40)28(10-11-41-35)27-4-3-5-29(33(27)39)30-9-8-25(36(43-30)49-2)17-45-19-37(20-45)13-26(46)14-37/h3-12,26,46H,13-22H2,1-2H3,(H,42,47)
InChIKeyFSABQBXGUMFXJE-UHFFFAOYSA-N
XLogP6.08
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.67
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]-6-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]benzonitrile
CID 170696159
2-[[4-[4-chloro-5-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]-3-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 170697184
2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane
CID 170696468
(1-acetylpiperidin-4-yl)-[[6-[2-chloro-3-[3-chloro-2-[4-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-3-methoxyphenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]carbamic acid
CID 174187329
2-[[6-[2-chloro-3-[3-chloro-2-[5-methoxy-6-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-3-pyridinyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 170697724
2-[[6-[2-chloro-3-[3-chloro-2-[5-methoxy-6-[(oxan-4-ylamino)methyl]-3-pyridinyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 170697713
1-[2-[[4-[4-[3-[5-[(7-acetyl-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-3-chloro-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 170696564
2-[[6-[2-chloro-3-[3-chloro-2-[(5R)-5-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 170697840
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-[[4-[4-[3-[3-[[(1-acetylpiperidin-4-yl)-methylamino]methyl]-1-methylpyrrolo[2,3-b]pyridin-6-yl]-2-chlorophenyl]-3-chloro-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 170697709
2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 139430327
2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 170697073

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one (CID 170697643) is 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one is COc1cc(-c2nccc(-c3cccc(-c4ccc(CN5CC6(CC(O)C6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)C2)C1.
What is the InChIKey of 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?
The InChIKey is FSABQBXGUMFXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39Cl2N5O4/c1-48-31-12-23(6-7-24(31)16-44-21-38(22-44)15-32(47)42-18-38)35-34(40)28(10-11-41-35)27-4-3-5-29(33(27)39)30-9-8-25(36(43-30)49-2)17-45-19-37(20-45)13-26(46)14-37/h3-12,26,46H,13-22H2,1-2H3,(H,42,47).
What are the key properties of 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?
2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 700.67 g/mol, XLogP of 6.08, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-chloro-4-[2-chloro-3-[5-[(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 170697643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).