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

C22H21F5N4O4 — CID 154998323

IUPACN-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(C(=O)Nc2cn3cc(C4CCOCC4)nc3cc2C(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20F2N4O2.C2HF3O2/c1-12-3-2-4-15(23-12)20(27)25-17-11-26-10-16(13-5-7-28-8-6-13)24-18(26)9-14(17)19(21)22;3-2(4,5)1(6)7/h2-4,9-11,13,19H,5-8H2,1H3,(H,25,27);(H,6,7)
InChIKeyUJHJIXOINTVLBX-UHFFFAOYSA-N
MW500.42 g/mol
LogP4.75
Rot. Bonds4

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

N-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998323) has the molecular formula C22H21F5N4O4 and a molecular weight of 500.42 g/mol. Its IUPAC name is N-[7-(difluoromethyl)-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-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998323
Molecular FormulaC22H21F5N4O4
Molecular Weight500.42 g/mol
Exact Mass500.15
IUPAC NameN-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(C(=O)Nc2cn3cc(C4CCOCC4)nc3cc2C(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20F2N4O2.C2HF3O2/c1-12-3-2-4-15(23-12)20(27)25-17-11-26-10-16(13-5-7-28-8-6-13)24-18(26)9-14(17)19(21)22;3-2(4,5)1(6)7/h2-4,9-11,13,19H,5-8H2,1H3,(H,25,27);(H,6,7)
InChIKeyUJHJIXOINTVLBX-UHFFFAOYSA-N
XLogP4.75
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(difluoromethyl)-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-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998323) is N-[7-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1cccc(C(=O)Nc2cn3cc(C4CCOCC4)nc3cc2C(F)F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UJHJIXOINTVLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2.C2HF3O2/c1-12-3-2-4-15(23-12)20(27)25-17-11-26-10-16(13-5-7-28-8-6-13)24-18(26)9-14(17)19(21)22;3-2(4,5)1(6)7/h2-4,9-11,13,19H,5-8H2,1H3,(H,25,27);(H,6,7).
What are the key properties of N-[7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[7-(difluoromethyl)-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 500.42 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(difluoromethyl)-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 154998323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).