(1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine

C32H36Cl2N4O2 — CID 146206615

IUPAC(1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc([C@H](C)N(C)C)c(OC)n4)c3Cl)c2Cl)ccc1[C@H](C)N(C)C
InChIInChI=1S/C32H36Cl2N4O2/c1-19(37(3)4)21-15-17-27(35-31(21)39-7)25-13-9-11-23(29(25)33)24-12-10-14-26(30(24)34)28-18-16-22(20(2)38(5)6)32(36-28)40-8/h9-20H,1-8H3/t19-,20-/m0/s1
InChIKeyBYKZOLIIMNMILZ-PMACEKPBSA-N
MW579.57 g/mol
LogP8.05
Rot. Bonds9

About (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine

(1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine (PubChem CID 146206615) has the molecular formula C32H36Cl2N4O2 and a molecular weight of 579.57 g/mol. Its IUPAC name is (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine
PubChem CID146206615
Molecular FormulaC32H36Cl2N4O2
Molecular Weight579.57 g/mol
Exact Mass578.22
IUPAC Name(1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc([C@H](C)N(C)C)c(OC)n4)c3Cl)c2Cl)ccc1[C@H](C)N(C)C
InChIInChI=1S/C32H36Cl2N4O2/c1-19(37(3)4)21-15-17-27(35-31(21)39-7)25-13-9-11-23(29(25)33)24-12-10-14-26(30(24)34)28-18-16-22(20(2)38(5)6)32(36-28)40-8/h9-20H,1-8H3/t19-,20-/m0/s1
InChIKeyBYKZOLIIMNMILZ-PMACEKPBSA-N
XLogP8.05
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.57
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine?
The IUPAC name of (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine (CID 146206615) is (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine.
What is the SMILES notation for (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine?
The canonical SMILES for (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine is COc1nc(-c2cccc(-c3cccc(-c4ccc([C@H](C)N(C)C)c(OC)n4)c3Cl)c2Cl)ccc1[C@H](C)N(C)C.
What is the InChIKey of (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine?
The InChIKey is BYKZOLIIMNMILZ-PMACEKPBSA-N. The full InChI is InChI=1S/C32H36Cl2N4O2/c1-19(37(3)4)21-15-17-27(35-31(21)39-7)25-13-9-11-23(29(25)33)24-12-10-14-26(30(24)34)28-18-16-22(20(2)38(5)6)32(36-28)40-8/h9-20H,1-8H3/t19-,20-/m0/s1.
What are the key properties of (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine?
(1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine has a molecular weight of 579.57 g/mol, XLogP of 8.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[2-chloro-3-[2-chloro-3-[5-[(1S)-1-(dimethylamino)ethyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N,N-dimethylethanamine is sourced from PubChem (CID 146206615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).