[6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine

C75H56Cl6F4N12 — CID 159440472

IUPAC[6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
SMILESCc1cccc(-c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)c1.NCc1cc2ncc(-c3cccc(F)c3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(-c3ccccc3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2nccn2cc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C21H17Cl2N3.C20H14Cl2FN3.C20H15Cl2N3.C14H10F3N3/c1-13-3-2-4-14(7-13)20-11-25-21-8-15(10-24)18(12-26(20)21)17-6-5-16(22)9-19(17)23;21-14-4-5-16(18(22)8-14)17-11-26-19(12-2-1-3-15(23)6-12)10-25-20(26)7-13(17)9-24;21-15-6-7-16(18(22)9-15)17-12-25-19(13-4-2-1-3-5-13)11-24-20(25)8-14(17)10-23;15-11-5-13(17)12(16)4-9(11)10-7-20-2-1-19-14(20)3-8(10)6-18/h2-9,11-12H,10,24H2,1H3;1-8,10-11H,9,24H2;1-9,11-12H,10,23H2;1-5,7H,6,18H2
InChIKeyLSCKNOXEWPNDFP-UHFFFAOYSA-N
MW1414.07 g/mol
LogP19.63
Rot. Bonds11

About [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine

[6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine (PubChem CID 159440472) has the molecular formula C75H56Cl6F4N12 and a molecular weight of 1414.07 g/mol. Its IUPAC name is [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
PubChem CID159440472
Molecular FormulaC75H56Cl6F4N12
Molecular Weight1414.07 g/mol
Exact Mass1410.28
IUPAC Name[6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
SMILESCc1cccc(-c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)c1.NCc1cc2ncc(-c3cccc(F)c3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(-c3ccccc3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2nccn2cc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C21H17Cl2N3.C20H14Cl2FN3.C20H15Cl2N3.C14H10F3N3/c1-13-3-2-4-14(7-13)20-11-25-21-8-15(10-24)18(12-26(20)21)17-6-5-16(22)9-19(17)23;21-14-4-5-16(18(22)8-14)17-11-26-19(12-2-1-3-15(23)6-12)10-25-20(26)7-13(17)9-24;21-15-6-7-16(18(22)9-15)17-12-25-19(13-4-2-1-3-5-13)11-24-20(25)8-14(17)10-23;15-11-5-13(17)12(16)4-9(11)10-7-20-2-1-19-14(20)3-8(10)6-18/h2-9,11-12H,10,24H2,1H3;1-8,10-11H,9,24H2;1-9,11-12H,10,23H2;1-5,7H,6,18H2
InChIKeyLSCKNOXEWPNDFP-UHFFFAOYSA-N
XLogP19.63
TPSA173.28 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001414.07
LogP ≤ 519.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine?
The IUPAC name of [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine (CID 159440472) is [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine?
The canonical SMILES for [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine is Cc1cccc(-c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)c1.NCc1cc2ncc(-c3cccc(F)c3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(-c3ccccc3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2nccn2cc1-c1cc(F)c(F)cc1F.
What is the InChIKey of [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine?
The InChIKey is LSCKNOXEWPNDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3.C20H14Cl2FN3.C20H15Cl2N3.C14H10F3N3/c1-13-3-2-4-14(7-13)20-11-25-21-8-15(10-24)18(12-26(20)21)17-6-5-16(22)9-19(17)23;21-14-4-5-16(18(22)8-14)17-11-26-19(12-2-1-3-15(23)6-12)10-25-20(26)7-13(17)9-24;21-15-6-7-16(18(22)9-15)17-12-25-19(13-4-2-1-3-5-13)11-24-20(25)8-14(17)10-23;15-11-5-13(17)12(16)4-9(11)10-7-20-2-1-19-14(20)3-8(10)6-18/h2-9,11-12H,10,24H2,1H3;1-8,10-11H,9,24H2;1-9,11-12H,10,23H2;1-5,7H,6,18H2.
What are the key properties of [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine?
[6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine has a molecular weight of 1414.07 g/mol, XLogP of 19.63, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dichlorophenyl)-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-phenylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 159440472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).