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

C44H42Cl2N6O2 — CID 146206944

IUPAC6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CCC(c6ccccn6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(c2ccccn2)C1
InChIInChI=1S/C44H42Cl2N6O2/c1-53-43-31(27-51-23-19-29(25-51)37-13-3-5-21-47-37)15-17-39(49-43)35-11-7-9-33(41(35)45)34-10-8-12-36(42(34)46)40-18-16-32(44(50-40)54-2)28-52-24-20-30(26-52)38-14-4-6-22-48-38/h3-18,21-22,29-30H,19-20,23-28H2,1-2H3
InChIKeyKPFAKLJUBRKERB-UHFFFAOYSA-N
MW757.77 g/mol
LogP9.57
Rot. Bonds11

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

6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 146206944) 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-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine
PubChem CID146206944
Molecular FormulaC44H42Cl2N6O2
Molecular Weight757.77 g/mol
Exact Mass756.27
IUPAC Name6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CCC(c6ccccn6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(c2ccccn2)C1
InChIInChI=1S/C44H42Cl2N6O2/c1-53-43-31(27-51-23-19-29(25-51)37-13-3-5-21-47-37)15-17-39(49-43)35-11-7-9-33(41(35)45)34-10-8-12-36(42(34)46)40-18-16-32(44(50-40)54-2)28-52-24-20-30(26-52)38-14-4-6-22-48-38/h3-18,21-22,29-30H,19-20,23-28H2,1-2H3
InChIKeyKPFAKLJUBRKERB-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-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine (CID 146206944) is 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CCC(c6ccccn6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(c2ccccn2)C1.
What is the InChIKey of 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is KPFAKLJUBRKERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42Cl2N6O2/c1-53-43-31(27-51-23-19-29(25-51)37-13-3-5-21-47-37)15-17-39(49-43)35-11-7-9-33(41(35)45)34-10-8-12-36(42(34)46)40-18-16-32(44(50-40)54-2)28-52-24-20-30(26-52)38-14-4-6-22-48-38/h3-18,21-22,29-30H,19-20,23-28H2,1-2H3.
What are the key properties of 6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine?
6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-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-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 146206944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).