N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

C27H28F3N3O3 — CID 24892525

IUPACN-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCCCNc1c(-c2cccc(-c3ccc(OC)cc3)c2)nc2ccc(C)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C25H27N3O.C2HF3O2/c1-4-5-15-26-25-24(27-23-14-9-18(2)17-28(23)25)21-8-6-7-20(16-21)19-10-12-22(29-3)13-11-19;3-2(4,5)1(6)7/h6-14,16-17,26H,4-5,15H2,1-3H3;(H,6,7)
InChIKeyVGBUSRVDVNWUQF-UHFFFAOYSA-N
MW499.53 g/mol
LogP6.83
Rot. Bonds7

About N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 24892525) has the molecular formula C27H28F3N3O3 and a molecular weight of 499.53 g/mol. Its IUPAC name is N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID24892525
Molecular FormulaC27H28F3N3O3
Molecular Weight499.53 g/mol
Exact Mass499.21
IUPAC NameN-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCCCNc1c(-c2cccc(-c3ccc(OC)cc3)c2)nc2ccc(C)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C25H27N3O.C2HF3O2/c1-4-5-15-26-25-24(27-23-14-9-18(2)17-28(23)25)21-8-6-7-20(16-21)19-10-12-22(29-3)13-11-19;3-2(4,5)1(6)7/h6-14,16-17,26H,4-5,15H2,1-3H3;(H,6,7)
InChIKeyVGBUSRVDVNWUQF-UHFFFAOYSA-N
XLogP6.83
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.53
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
Dgat1-IN-1
CID 71696573
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
3-(4-Cyclopropyloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179286
3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179289
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
N-propan-2-yl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
CID 134179300
3-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179301
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 24892525) is N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is CCCCNc1c(-c2cccc(-c3ccc(OC)cc3)c2)nc2ccc(C)cn12.O=C(O)C(F)(F)F.
What is the InChIKey of N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VGBUSRVDVNWUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O.C2HF3O2/c1-4-5-15-26-25-24(27-23-14-9-18(2)17-28(23)25)21-8-6-7-20(16-21)19-10-12-22(29-3)13-11-19;3-2(4,5)1(6)7/h6-14,16-17,26H,4-5,15H2,1-3H3;(H,6,7).
What are the key properties of N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 499.53 g/mol, XLogP of 6.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(4-methoxyphenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 24892525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).