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

C30H25ClF2N6O2 — CID 146206616

IUPAC6-[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
SMILESCOc1nc(-c2cccc(-c3c(F)ccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2F)ccc1C1=NCCN1
InChIInChI=1S/C30H25ClF2N6O2/c1-40-29-19(27-34-12-13-35-27)7-10-22(38-29)16-6-9-21(32)24(25(16)31)18-5-3-4-17(26(18)33)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)
InChIKeyBTPCELFYUQPYQP-UHFFFAOYSA-N
MW575.02 g/mol
LogP5.13
Rot. Bonds7

About 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

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 (PubChem CID 146206616) has the molecular formula C30H25ClF2N6O2 and a molecular weight of 575.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID146206616
Molecular FormulaC30H25ClF2N6O2
Molecular Weight575.02 g/mol
Exact Mass574.17
IUPAC Name6-[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
SMILESCOc1nc(-c2cccc(-c3c(F)ccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2F)ccc1C1=NCCN1
InChIInChI=1S/C30H25ClF2N6O2/c1-40-29-19(27-34-12-13-35-27)7-10-22(38-29)16-6-9-21(32)24(25(16)31)18-5-3-4-17(26(18)33)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)
InChIKeyBTPCELFYUQPYQP-UHFFFAOYSA-N
XLogP5.13
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.02
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(-c2cccc(-c3c(F)ccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2F)ccc1C1=NCCN1.
What is the InChIKey of 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?
The InChIKey is BTPCELFYUQPYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClF2N6O2/c1-40-29-19(27-34-12-13-35-27)7-10-22(38-29)16-6-9-21(32)24(25(16)31)18-5-3-4-17(26(18)33)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-[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?
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 has a molecular weight of 575.02 g/mol, XLogP of 5.13, 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-[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 is sourced from PubChem (CID 146206616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).