methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate

C21H20F2N4O4 — CID 154655368

IUPACmethyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C21H20F2N4O4/c1-30-21(29)13-9-18-25-16(12-5-7-31-8-6-12)10-27(18)11-17(13)26-20(28)15-4-2-3-14(24-15)19(22)23/h2-4,9-12,19H,5-8H2,1H3,(H,26,28)
InChIKeyUZSNOEQGXXDRJS-UHFFFAOYSA-N
MW430.41 g/mol
LogP3.60
Rot. Bonds5

About methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate

methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 154655368) has the molecular formula C21H20F2N4O4 and a molecular weight of 430.41 g/mol. Its IUPAC name is methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID154655368
Molecular FormulaC21H20F2N4O4
Molecular Weight430.41 g/mol
Exact Mass430.15
IUPAC Namemethyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C21H20F2N4O4/c1-30-21(29)13-9-18-25-16(12-5-7-31-8-6-12)10-27(18)11-17(13)26-20(28)15-4-2-3-14(24-15)19(22)23/h2-4,9-12,19H,5-8H2,1H3,(H,26,28)
InChIKeyUZSNOEQGXXDRJS-UHFFFAOYSA-N
XLogP3.60
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate (CID 154655368) is methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is UZSNOEQGXXDRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4/c1-30-21(29)13-9-18-25-16(12-5-7-31-8-6-12)10-27(18)11-17(13)26-20(28)15-4-2-3-14(24-15)19(22)23/h2-4,9-12,19H,5-8H2,1H3,(H,26,28).
What are the key properties of methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?
methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 430.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 154655368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).