(3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine

C50H31ClF14N10 — CID 158843622

About (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine

(3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine (PubChem CID 158843622) has the molecular formula C50H31ClF14N10 and a molecular weight of 1073.29 g/mol. Its IUPAC name is (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
• PubChem CID: 158843622
• Molecular Formula: C50H31ClF14N10
• Molecular Weight: 1073.29 g/mol
• Exact Mass: 1072.22
• IUPAC Name: (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
• SMILES: FC(F)(F)c1ccc(-c2ccc(CCl)nn2)c(C(F)(F)F)c1.Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1.Fc1ccccc1C1=N[C@H]2C=CN=C[C@H]2N1
• InChI: InChI=1S/C25H14F7N5.C13H7ClF6N2.C12H10FN3/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32;14-6-8-2-4-11(22-21-8)9-3-1-7(12(15,16)17)5-10(9)13(18,19)20;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12/h1-11,13H,12H2;1-5H,6H2;1-7,10-11H,(H,15,16)/t;;10-,11+/m..0/s1
• InChIKey: IYOAUMUWYVIUGD-DYOLPBOMSA-N
• XLogP: 13.16
• TPSA: 119.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.29
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine?

The IUPAC name of (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine (CID 158843622) is (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine.

What is the SMILES notation for (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine?

The canonical SMILES for (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine is FC(F)(F)c1ccc(-c2ccc(CCl)nn2)c(C(F)(F)F)c1.Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1.Fc1ccccc1C1=N[C@H]2C=CN=C[C@H]2N1.

What is the InChIKey of (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine?

The InChIKey is IYOAUMUWYVIUGD-DYOLPBOMSA-N. The full InChI is InChI=1S/C25H14F7N5.C13H7ClF6N2.C12H10FN3/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32;14-6-8-2-4-11(22-21-8)9-3-1-7(12(15,16)17)5-10(9)13(18,19)20;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12/h1-11,13H,12H2;1-5H,6H2;1-7,10-11H,(H,15,16)/t;;10-,11+/m..0/s1.

What are the key properties of (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine?

(3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine has a molecular weight of 1073.29 g/mol, XLogP of 13.16, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,7aS)-2-(2-fluorophenyl)-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine;3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 158843622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).