6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine

C28H20Cl2F2N6 — CID 146206801

IUPAC6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine
SMILESFc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(F)n4)c3Cl)c2Cl)ccc1C1=NCCN1
InChIInChI=1S/C28H20Cl2F2N6/c29-23-15(3-1-5-17(23)21-9-7-19(25(31)37-21)27-33-11-12-34-27)16-4-2-6-18(24(16)30)22-10-8-20(26(32)38-22)28-35-13-14-36-28/h1-10H,11-14H2,(H,33,34)(H,35,36)
InChIKeyAPHFLVCRCZSIKH-UHFFFAOYSA-N
MW549.41 g/mol
LogP5.76
Rot. Bonds5

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

6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine (PubChem CID 146206801) has the molecular formula C28H20Cl2F2N6 and a molecular weight of 549.41 g/mol. Its IUPAC name is 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine.

Molecular Properties

Compound Name6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine
PubChem CID146206801
Molecular FormulaC28H20Cl2F2N6
Molecular Weight549.41 g/mol
Exact Mass548.11
IUPAC Name6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine
SMILESFc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(F)n4)c3Cl)c2Cl)ccc1C1=NCCN1
InChIInChI=1S/C28H20Cl2F2N6/c29-23-15(3-1-5-17(23)21-9-7-19(25(31)37-21)27-33-11-12-34-27)16-4-2-6-18(24(16)30)22-10-8-20(26(32)38-22)28-35-13-14-36-28/h1-10H,11-14H2,(H,33,34)(H,35,36)
InChIKeyAPHFLVCRCZSIKH-UHFFFAOYSA-N
XLogP5.76
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.41
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine?
The IUPAC name of 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine (CID 146206801) is 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine.
What is the SMILES notation for 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine?
The canonical SMILES for 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine is Fc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NCCN5)c(F)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-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine?
The InChIKey is APHFLVCRCZSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2F2N6/c29-23-15(3-1-5-17(23)21-9-7-19(25(31)37-21)27-33-11-12-34-27)16-4-2-6-18(24(16)30)22-10-8-20(26(32)38-22)28-35-13-14-36-28/h1-10H,11-14H2,(H,33,34)(H,35,36).
What are the key properties of 6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine?
6-[2-chloro-3-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine has a molecular weight of 549.41 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-fluoro-2-pyridinyl]phenyl]phenyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoropyridine is sourced from PubChem (CID 146206801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).