2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

C20H18F3N5O4 — CID 155166815

IUPAC2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N5O4/c1-24-18(29)11-7-17-26-14(15-10-31-5-6-32-15)9-28(17)8-13(11)27-19(30)12-3-2-4-16(25-12)20(21,22)23/h2-4,7-9,15H,5-6,10H2,1H3,(H,24,29)(H,27,30)
InChIKeyXRYXMZIMGLVBHS-UHFFFAOYSA-N
MW449.39 g/mol
LogP2.45
Rot. Bonds4

About 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155166815) has the molecular formula C20H18F3N5O4 and a molecular weight of 449.39 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID155166815
Molecular FormulaC20H18F3N5O4
Molecular Weight449.39 g/mol
Exact Mass449.13
IUPAC Name2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N5O4/c1-24-18(29)11-7-17-26-14(15-10-31-5-6-32-15)9-28(17)8-13(11)27-19(30)12-3-2-4-16(25-12)20(21,22)23/h2-4,7-9,15H,5-6,10H2,1H3,(H,24,29)(H,27,30)
InChIKeyXRYXMZIMGLVBHS-UHFFFAOYSA-N
XLogP2.45
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (CID 155166815) is 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is CNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is XRYXMZIMGLVBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O4/c1-24-18(29)11-7-17-26-14(15-10-31-5-6-32-15)9-28(17)8-13(11)27-19(30)12-3-2-4-16(25-12)20(21,22)23/h2-4,7-9,15H,5-6,10H2,1H3,(H,24,29)(H,27,30).
What are the key properties of 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 449.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155166815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).