7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid

C26H21F3N4O3 — CID 44525678

IUPAC7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CNc2nccc3ccc(-c4ccc5nccn5c4)cc23)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H20N4O.C2HF3O2/c1-29-21-7-2-17(3-8-21)15-27-24-22-14-19(5-4-18(22)10-11-26-24)20-6-9-23-25-12-13-28(23)16-20;3-2(4,5)1(6)7/h2-14,16H,15H2,1H3,(H,26,27);(H,6,7)
InChIKeyHFQXEIOSKDHFJU-UHFFFAOYSA-N
MW494.47 g/mol
LogP5.80
Rot. Bonds5

About 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid

7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 44525678) has the molecular formula C26H21F3N4O3 and a molecular weight of 494.47 g/mol. Its IUPAC name is 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid
PubChem CID44525678
Molecular FormulaC26H21F3N4O3
Molecular Weight494.47 g/mol
Exact Mass494.16
IUPAC Name7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CNc2nccc3ccc(-c4ccc5nccn5c4)cc23)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H20N4O.C2HF3O2/c1-29-21-7-2-17(3-8-21)15-27-24-22-14-19(5-4-18(22)10-11-26-24)20-6-9-23-25-12-13-28(23)16-20;3-2(4,5)1(6)7/h2-14,16H,15H2,1H3,(H,26,27);(H,6,7)
InChIKeyHFQXEIOSKDHFJU-UHFFFAOYSA-N
XLogP5.80
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.47
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid (CID 44525678) is 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid is COc1ccc(CNc2nccc3ccc(-c4ccc5nccn5c4)cc23)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HFQXEIOSKDHFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O.C2HF3O2/c1-29-21-7-2-17(3-8-21)15-27-24-22-14-19(5-4-18(22)10-11-26-24)20-6-9-23-25-12-13-28(23)16-20;3-2(4,5)1(6)7/h2-14,16H,15H2,1H3,(H,26,27);(H,6,7).
What are the key properties of 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid?
7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 494.47 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazo[1,2-a]pyridin-6-yl-N-[(4-methoxyphenyl)methyl]isoquinolin-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44525678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).