2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one

C38H40Cl2N6O3 — CID 146206644

IUPAC2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCNC2)C1
InChIInChI=1S/C38H40Cl2N6O3/c1-48-35-24(17-45-20-37(21-45)15-16-41-19-37)9-11-30(42-35)28-7-3-5-26(33(28)39)27-6-4-8-29(34(27)40)31-12-10-25(36(43-31)49-2)18-46-22-38(23-46)14-13-32(47)44-38/h3-12,41H,13-23H2,1-2H3,(H,44,47)
InChIKeyHSQXPHRBDKCHLQ-UHFFFAOYSA-N
MW699.68 g/mol
LogP6.06
Rot. Bonds9

About 2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one

2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 146206644) has the molecular formula C38H40Cl2N6O3 and a molecular weight of 699.68 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID146206644
Molecular FormulaC38H40Cl2N6O3
Molecular Weight699.68 g/mol
Exact Mass698.25
IUPAC Name2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCNC2)C1
InChIInChI=1S/C38H40Cl2N6O3/c1-48-35-24(17-45-20-37(21-45)15-16-41-19-37)9-11-30(42-35)28-7-3-5-26(33(28)39)27-6-4-8-29(34(27)40)31-12-10-25(36(43-31)49-2)18-46-22-38(23-46)14-13-32(47)44-38/h3-12,41H,13-23H2,1-2H3,(H,44,47)
InChIKeyHSQXPHRBDKCHLQ-UHFFFAOYSA-N
XLogP6.06
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.68
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-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-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 146206644) is 2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-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-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CCC(=O)N6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCNC2)C1.
What is the InChIKey of 2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is HSQXPHRBDKCHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40Cl2N6O3/c1-48-35-24(17-45-20-37(21-45)15-16-41-19-37)9-11-30(42-35)28-7-3-5-26(33(28)39)27-6-4-8-29(34(27)40)31-12-10-25(36(43-31)49-2)18-46-22-38(23-46)14-13-32(47)44-38/h3-12,41H,13-23H2,1-2H3,(H,44,47).
What are the key properties of 2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 699.68 g/mol, XLogP of 6.06, 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-[5-(2,7-diazaspiro[3.4]octan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146206644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).