6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine

C30H25Cl2FN6O2 — CID 146207098

IUPAC6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine
SMILESCOc1nc(-c2cccc(-c3c(F)ccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2Cl)ccc1C1=NCCN1
InChIInChI=1S/C30H25Cl2FN6O2/c1-40-29-19(27-34-12-13-35-27)7-10-22(38-29)16-4-3-5-18(25(16)31)24-21(33)9-6-17(26(24)32)23-11-8-20(30(39-23)41-2)28-36-14-15-37-28/h3-11H,12-15H2,1-2H3,(H,34,35)(H,36,37)
InChIKeyPLJFNDBKLUQCLA-UHFFFAOYSA-N
MW591.47 g/mol
LogP5.64
Rot. Bonds7

About 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine

6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine (PubChem CID 146207098) has the molecular formula C30H25Cl2FN6O2 and a molecular weight of 591.47 g/mol. Its IUPAC name is 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine.

Molecular Properties

Compound Name6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine
PubChem CID146207098
Molecular FormulaC30H25Cl2FN6O2
Molecular Weight591.47 g/mol
Exact Mass590.14
IUPAC Name6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine
SMILESCOc1nc(-c2cccc(-c3c(F)ccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2Cl)ccc1C1=NCCN1
InChIInChI=1S/C30H25Cl2FN6O2/c1-40-29-19(27-34-12-13-35-27)7-10-22(38-29)16-4-3-5-18(25(16)31)24-21(33)9-6-17(26(24)32)23-11-8-20(30(39-23)41-2)28-36-14-15-37-28/h3-11H,12-15H2,1-2H3,(H,34,35)(H,36,37)
InChIKeyPLJFNDBKLUQCLA-UHFFFAOYSA-N
XLogP5.64
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.47
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine with MolForge

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Launch Full Analysis

Related Compounds

US10710986, Example 615
CID 139430461
1-N-[[6-[[3-[3-[[5-[[(2-amino-3,3,3-trifluoropropyl)amino]methyl]-6-methoxypyridin-2-yl]oxymethyl]-2-chlorophenyl]-2-chlorophenyl]methoxy]-2-methoxypyridin-3-yl]methyl]-3,3,3-trifluoropropane-1,2-diamine
CID 137518160
6-[2-bromo-3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine
CID 146206610
6-[2-chloro-3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-4-fluorophenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine
CID 146206616
2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile
CID 146206628
6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-4-fluorophenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine
CID 146206629
2-[[4-[2-Chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2,3-difluorophenyl]methylamino]ethanol
CID 146206648
2-[[6-[2-Chloro-3-[2-chloro-3-[6-fluoro-5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-ethoxy-3-pyridinyl]methylamino]ethanol
CID 146206802
2-[[4-[2-Chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-fluorophenyl]methylamino]ethanol
CID 146206829
(5S)-5-[[[6-[2-chloro-3-[2-chloro-5-fluoro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206877
(5S)-5-[[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-fluorophenyl]methylamino]methyl]pyrrolidin-2-one
CID 146206936
(5S)-5-[[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-3-fluorophenyl]methylamino]methyl]pyrrolidin-2-one
CID 146206938

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine?
The IUPAC name of 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine (CID 146207098) is 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine.
What is the SMILES notation for 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine?
The canonical SMILES for 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine is COc1nc(-c2cccc(-c3c(F)ccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2Cl)ccc1C1=NCCN1.
What is the InChIKey of 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine?
The InChIKey is PLJFNDBKLUQCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2FN6O2/c1-40-29-19(27-34-12-13-35-27)7-10-22(38-29)16-4-3-5-18(25(16)31)24-21(33)9-6-17(26(24)32)23-11-8-20(30(39-23)41-2)28-36-14-15-37-28/h3-11H,12-15H2,1-2H3,(H,34,35)(H,36,37).
What are the key properties of 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine?
6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine has a molecular weight of 591.47 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxypyridine is sourced from PubChem (CID 146207098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).