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

C36H38Cl2N6O2 — CID 146250656

IUPAC6-[[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
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCN6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCN2)C1
InChIInChI=1S/C36H38Cl2N6O2/c1-45-33-23(17-43-19-35(20-43)13-15-39-35)9-11-29(41-33)27-7-3-5-25(31(27)37)26-6-4-8-28(32(26)38)30-12-10-24(34(42-30)46-2)18-44-21-36(22-44)14-16-40-36/h3-12,39-40H,13-22H2,1-2H3
InChIKeyOVBIBESIMRTATR-UHFFFAOYSA-N
MW657.65 g/mol
LogP5.90
Rot. Bonds9

About 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

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 (PubChem CID 146250656) has the molecular formula C36H38Cl2N6O2 and a molecular weight of 657.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID146250656
Molecular FormulaC36H38Cl2N6O2
Molecular Weight657.65 g/mol
Exact Mass656.24
IUPAC Name6-[[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
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCN6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCN2)C1
InChIInChI=1S/C36H38Cl2N6O2/c1-45-33-23(17-43-19-35(20-43)13-15-39-35)9-11-29(41-33)27-7-3-5-25(31(27)37)26-6-4-8-28(32(26)38)30-12-10-24(34(42-30)46-2)18-44-21-36(22-44)14-16-40-36/h3-12,39-40H,13-22H2,1-2H3
InChIKeyOVBIBESIMRTATR-UHFFFAOYSA-N
XLogP5.90
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.65
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146198755
2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]oxy]acetonitrile
CID 146198764
2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-(hydroxymethyl)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146206831
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-[2-chloro-3-[2-chloro-3-[6-cyclopropyloxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 139430044
(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
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
1-[4-[[6-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 146207008
2-[[6-[2-chloro-3-[2-chloro-3-[2-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 140933790

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCN6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCN2)C1.
What is the InChIKey of 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?
The InChIKey is OVBIBESIMRTATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Cl2N6O2/c1-45-33-23(17-43-19-35(20-43)13-15-39-35)9-11-29(41-33)27-7-3-5-25(31(27)37)26-6-4-8-28(32(26)38)30-12-10-24(34(42-30)46-2)18-44-21-36(22-44)14-16-40-36/h3-12,39-40H,13-22H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 657.65 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146250656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).