6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine

C44H42Cl2N6O2 — CID 146206945

IUPAC6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CCC(c6cccnc6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(c2cccnc2)C1
InChIInChI=1S/C44H42Cl2N6O2/c1-53-43-33(27-51-21-17-31(25-51)29-7-5-19-47-23-29)13-15-39(49-43)37-11-3-9-35(41(37)45)36-10-4-12-38(42(36)46)40-16-14-34(44(50-40)54-2)28-52-22-18-32(26-52)30-8-6-20-48-24-30/h3-16,19-20,23-24,31-32H,17-18,21-22,25-28H2,1-2H3
InChIKeyRBRZVPAOMMXUCS-UHFFFAOYSA-N
MW757.77 g/mol
LogP9.57
Rot. Bonds11

About 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine

6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 146206945) has the molecular formula C44H42Cl2N6O2 and a molecular weight of 757.77 g/mol. Its IUPAC name is 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
PubChem CID146206945
Molecular FormulaC44H42Cl2N6O2
Molecular Weight757.77 g/mol
Exact Mass756.27
IUPAC Name6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CCC(c6cccnc6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(c2cccnc2)C1
InChIInChI=1S/C44H42Cl2N6O2/c1-53-43-33(27-51-21-17-31(25-51)29-7-5-19-47-23-29)13-15-39(49-43)37-11-3-9-35(41(37)45)36-10-4-12-38(42(36)46)40-16-14-34(44(50-40)54-2)28-52-22-18-32(26-52)30-8-6-20-48-24-30/h3-16,19-20,23-24,31-32H,17-18,21-22,25-28H2,1-2H3
InChIKeyRBRZVPAOMMXUCS-UHFFFAOYSA-N
XLogP9.57
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.77
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine (CID 146206945) is 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CCC(c6cccnc6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(c2cccnc2)C1.
What is the InChIKey of 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is RBRZVPAOMMXUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42Cl2N6O2/c1-53-43-33(27-51-21-17-31(25-51)29-7-5-19-47-23-29)13-15-39(49-43)37-11-3-9-35(41(37)45)36-10-4-12-38(42(36)46)40-16-14-34(44(50-40)54-2)28-52-22-18-32(26-52)30-8-6-20-48-24-30/h3-16,19-20,23-24,31-32H,17-18,21-22,25-28H2,1-2H3.
What are the key properties of 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine?
6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 757.77 g/mol, XLogP of 9.57, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 146206945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).