7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine

C92H80N10O4 — CID 159809408

IUPAC7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine
SMILESCCCOc1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cc1.COc1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cn1.c1ccc(-c2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccn23)cc1.c1ccc(Oc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)cc1
InChIInChI=1S/C26H27N3O.C25H18N2O.C22H20N2O.C19H15N3O/c1-3-7-22(8-4-1)25-20-27-26-19-23(13-16-29(25)26)21-9-11-24(12-10-21)30-18-17-28-14-5-2-6-15-28;1-3-7-20(8-4-1)24-18-26-25-17-21(15-16-27(24)25)19-11-13-23(14-12-19)28-22-9-5-2-6-10-22;1-2-14-25-20-10-8-17(9-11-20)19-12-13-24-21(16-23-22(24)15-19)18-6-4-3-5-7-18;1-23-19-8-7-16(12-21-19)15-9-10-22-17(13-20-18(22)11-15)14-5-3-2-4-6-14/h1,3-4,7-13,16,19-20H,2,5-6,14-15,17-18H2;1-18H;3-13,15-16H,2,14H2,1H3;2-13H,1H3
InChIKeyNKVFQXZHORASIW-UHFFFAOYSA-N
MW1389.72 g/mol
LogP21.52
Rot. Bonds18

About 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine

7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 159809408) has the molecular formula C92H80N10O4 and a molecular weight of 1389.72 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID159809408
Molecular FormulaC92H80N10O4
Molecular Weight1389.72 g/mol
Exact Mass1388.64
IUPAC Name7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine
SMILESCCCOc1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cc1.COc1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cn1.c1ccc(-c2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccn23)cc1.c1ccc(Oc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)cc1
InChIInChI=1S/C26H27N3O.C25H18N2O.C22H20N2O.C19H15N3O/c1-3-7-22(8-4-1)25-20-27-26-19-23(13-16-29(25)26)21-9-11-24(12-10-21)30-18-17-28-14-5-2-6-15-28;1-3-7-20(8-4-1)24-18-26-25-17-21(15-16-27(24)25)19-11-13-23(14-12-19)28-22-9-5-2-6-10-22;1-2-14-25-20-10-8-17(9-11-20)19-12-13-24-21(16-23-22(24)15-19)18-6-4-3-5-7-18;1-23-19-8-7-16(12-21-19)15-9-10-22-17(13-20-18(22)11-15)14-5-3-2-4-6-14/h1,3-4,7-13,16,19-20H,2,5-6,14-15,17-18H2;1-18H;3-13,15-16H,2,14H2,1H3;2-13H,1H3
InChIKeyNKVFQXZHORASIW-UHFFFAOYSA-N
XLogP21.52
TPSA122.25 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms106
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.72
LogP ≤ 521.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine (CID 159809408) is 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine is CCCOc1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cc1.COc1ccc(-c2ccn3c(-c4ccccc4)cnc3c2)cn1.c1ccc(-c2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccn23)cc1.c1ccc(Oc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)cc1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is NKVFQXZHORASIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O.C25H18N2O.C22H20N2O.C19H15N3O/c1-3-7-22(8-4-1)25-20-27-26-19-23(13-16-29(25)26)21-9-11-24(12-10-21)30-18-17-28-14-5-2-6-15-28;1-3-7-20(8-4-1)24-18-26-25-17-21(15-16-27(24)25)19-11-13-23(14-12-19)28-22-9-5-2-6-10-22;1-2-14-25-20-10-8-17(9-11-20)19-12-13-24-21(16-23-22(24)15-19)18-6-4-3-5-7-18;1-23-19-8-7-16(12-21-19)15-9-10-22-17(13-20-18(22)11-15)14-5-3-2-4-6-14/h1,3-4,7-13,16,19-20H,2,5-6,14-15,17-18H2;1-18H;3-13,15-16H,2,14H2,1H3;2-13H,1H3.
What are the key properties of 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine?
7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 1389.72 g/mol, XLogP of 21.52, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-3-phenylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine;3-phenyl-7-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-a]pyridine;3-phenyl-7-(4-propoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159809408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).