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

C38H31F6N9O9 — CID 167687517

IUPAC2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(Nc1cn2cc(C3COCCO3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H16F3N5O4.C19H15F3N4O5/c20-19(21,22)15-3-1-2-11(24-15)18(29)26-12-7-27-8-13(14-9-30-4-5-31-14)25-16(27)6-10(12)17(23)28;20-19(21,22)15-3-1-2-11(23-15)17(27)25-12-7-26-8-13(14-9-30-4-5-31-14)24-16(26)6-10(12)18(28)29/h1-3,6-8,14H,4-5,9H2,(H2,23,28)(H,26,29);1-3,6-8,14H,4-5,9H2,(H,25,27)(H,28,29)
InChIKeyWKXOCFULNXXCIG-UHFFFAOYSA-N
MW871.71 g/mol
LogP4.97
Rot. Bonds8

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

2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 167687517) has the molecular formula C38H31F6N9O9 and a molecular weight of 871.71 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID167687517
Molecular FormulaC38H31F6N9O9
Molecular Weight871.71 g/mol
Exact Mass871.21
IUPAC Name2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(Nc1cn2cc(C3COCCO3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H16F3N5O4.C19H15F3N4O5/c20-19(21,22)15-3-1-2-11(24-15)18(29)26-12-7-27-8-13(14-9-30-4-5-31-14)25-16(27)6-10(12)17(23)28;20-19(21,22)15-3-1-2-11(23-15)17(27)25-12-7-26-8-13(14-9-30-4-5-31-14)24-16(26)6-10(12)18(28)29/h1-3,6-8,14H,4-5,9H2,(H2,23,28)(H,26,29);1-3,6-8,14H,4-5,9H2,(H,25,27)(H,28,29)
InChIKeyWKXOCFULNXXCIG-UHFFFAOYSA-N
XLogP4.97
TPSA235.89 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.71
LogP ≤ 54.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid with MolForge

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Related Compounds

N-[2-(Ethyloxycarbonyl)imidazo[1,2-a]pyrid-7-yl]-5-trifluoromethyl-1-[(3-fluoro-phenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66863391
Methyl 2-(3-ethoxy-3-oxopropyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 146386216
Methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 146386238
Methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 154655368
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
6-(difluoromethyl)-N-[7-(methoxymethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998568
2-(1,4-Dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155166567
6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 155166581
6-[[6-(1,1-Difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 155166641
2-(1,4-Dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 155166651
2-(Oxan-4-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 155166714
2-(1,4-dioxan-2-yl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155166815

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 167687517) is 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is NC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(Nc1cn2cc(C3COCCO3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is WKXOCFULNXXCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O4.C19H15F3N4O5/c20-19(21,22)15-3-1-2-11(24-15)18(29)26-12-7-27-8-13(14-9-30-4-5-31-14)25-16(27)6-10(12)17(23)28;20-19(21,22)15-3-1-2-11(23-15)17(27)25-12-7-26-8-13(14-9-30-4-5-31-14)24-16(26)6-10(12)18(28)29/h1-3,6-8,14H,4-5,9H2,(H2,23,28)(H,26,29);1-3,6-8,14H,4-5,9H2,(H,25,27)(H,28,29).
What are the key properties of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid?
2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 871.71 g/mol, XLogP of 4.97, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 167687517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).