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

C30H26F2N6O2 — CID 146207009

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3F)c2F)ccc1C1=NCCN1
InChIInChI=1S/C30H26F2N6O2/c1-39-29-21(27-33-13-14-34-27)9-11-23(37-29)19-7-3-5-17(25(19)31)18-6-4-8-20(26(18)32)24-12-10-22(30(38-24)40-2)28-35-15-16-36-28/h3-12H,13-16H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyUCNHOLJKBDBVCN-UHFFFAOYSA-N
MW540.57 g/mol
LogP4.47
Rot. Bonds7

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

3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine (PubChem CID 146207009) has the molecular formula C30H26F2N6O2 and a molecular weight of 540.57 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine
PubChem CID146207009
Molecular FormulaC30H26F2N6O2
Molecular Weight540.57 g/mol
Exact Mass540.21
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3F)c2F)ccc1C1=NCCN1
InChIInChI=1S/C30H26F2N6O2/c1-39-29-21(27-33-13-14-34-27)9-11-23(37-29)19-7-3-5-17(25(19)31)18-6-4-8-20(26(18)32)24-12-10-22(30(38-24)40-2)28-35-15-16-36-28/h3-12H,13-16H2,1-2H3,(H,33,34)(H,35,36)
InChIKeyUCNHOLJKBDBVCN-UHFFFAOYSA-N
XLogP4.47
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.57
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine (CID 146207009) is 3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine is COc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3F)c2F)ccc1C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine?
The InChIKey is UCNHOLJKBDBVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N6O2/c1-39-29-21(27-33-13-14-34-27)9-11-23(37-29)19-7-3-5-17(25(19)31)18-6-4-8-20(26(18)32)24-12-10-22(30(38-24)40-2)28-35-15-16-36-28/h3-12H,13-16H2,1-2H3,(H,33,34)(H,35,36).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine?
3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine has a molecular weight of 540.57 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-6-[3-[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-2-fluorophenyl]-2-fluorophenyl]-2-methoxypyridine is sourced from PubChem (CID 146207009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).