N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C23H25F3N4O5 — CID 154998269

IUPACN-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24N4O3.C2HF3O2/c1-14-4-3-5-17(22-14)21(26)24-19-12-25-11-18(15-6-8-28-9-7-15)23-20(25)10-16(19)13-27-2;3-2(4,5)1(6)7/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,24,26);(H,6,7)
InChIKeyLSAUTLWGIYVAHI-UHFFFAOYSA-N
MW494.47 g/mol
LogP3.96
Rot. Bonds5

About N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid

N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998269) has the molecular formula C23H25F3N4O5 and a molecular weight of 494.47 g/mol. Its IUPAC name is N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998269
Molecular FormulaC23H25F3N4O5
Molecular Weight494.47 g/mol
Exact Mass494.18
IUPAC NameN-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24N4O3.C2HF3O2/c1-14-4-3-5-17(22-14)21(26)24-19-12-25-11-18(15-6-8-28-9-7-15)23-20(25)10-16(19)13-27-2;3-2(4,5)1(6)7/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,24,26);(H,6,7)
InChIKeyLSAUTLWGIYVAHI-UHFFFAOYSA-N
XLogP3.96
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998269) is N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid is COCc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LSAUTLWGIYVAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.C2HF3O2/c1-14-4-3-5-17(22-14)21(26)24-19-12-25-11-18(15-6-8-28-9-7-15)23-20(25)10-16(19)13-27-2;3-2(4,5)1(6)7/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,24,26);(H,6,7).
What are the key properties of N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 494.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).