N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

C30H26F3N3O4 — CID 56603524

IUPACN-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2cc(-c3nc4ccccn4c3NCc3ccccc3)ccc2OC)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H25N3O2.C2HF3O2/c1-32-23-14-11-21(12-15-23)24-18-22(13-16-25(24)33-2)27-28(29-19-20-8-4-3-5-9-20)31-17-7-6-10-26(31)30-27;3-2(4,5)1(6)7/h3-18,29H,19H2,1-2H3;(H,6,7)
InChIKeyJDGWIZOWARDODA-UHFFFAOYSA-N
MW549.55 g/mol
LogP6.93
Rot. Bonds7

About N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 56603524) has the molecular formula C30H26F3N3O4 and a molecular weight of 549.55 g/mol. Its IUPAC name is N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID56603524
Molecular FormulaC30H26F3N3O4
Molecular Weight549.55 g/mol
Exact Mass549.19
IUPAC NameN-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2cc(-c3nc4ccccn4c3NCc3ccccc3)ccc2OC)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H25N3O2.C2HF3O2/c1-32-23-14-11-21(12-15-23)24-18-22(13-16-25(24)33-2)27-28(29-19-20-8-4-3-5-9-20)31-17-7-6-10-26(31)30-27;3-2(4,5)1(6)7/h3-18,29H,19H2,1-2H3;(H,6,7)
InChIKeyJDGWIZOWARDODA-UHFFFAOYSA-N
XLogP6.93
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.55
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 56603524) is N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is COc1ccc(-c2cc(-c3nc4ccccn4c3NCc3ccccc3)ccc2OC)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is JDGWIZOWARDODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2.C2HF3O2/c1-32-23-14-11-21(12-15-23)24-18-22(13-16-25(24)33-2)27-28(29-19-20-8-4-3-5-9-20)31-17-7-6-10-26(31)30-27;3-2(4,5)1(6)7/h3-18,29H,19H2,1-2H3;(H,6,7).
What are the key properties of N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 549.55 g/mol, XLogP of 6.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56603524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).