6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C21H20F2N4O3 — CID 154655085

IUPAC6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3C4COCC43)nc12
InChIInChI=1S/C21H20F2N4O3/c1-2-30-17-6-11(24-21(28)15-5-3-4-14(25-15)19(22)23)7-27-8-16(26-20(17)27)18-12-9-29-10-13(12)18/h3-8,12-13,18-19H,2,9-10H2,1H3,(H,24,28)
InChIKeyMDVGOMGOYSTTEM-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.68
Rot. Bonds6

About 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655085) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655085
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC Name6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3C4COCC43)nc12
InChIInChI=1S/C21H20F2N4O3/c1-2-30-17-6-11(24-21(28)15-5-3-4-14(25-15)19(22)23)7-27-8-16(26-20(17)27)18-12-9-29-10-13(12)18/h3-8,12-13,18-19H,2,9-10H2,1H3,(H,24,28)
InChIKeyMDVGOMGOYSTTEM-UHFFFAOYSA-N
XLogP3.68
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655085) is 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CCOc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3C4COCC43)nc12.
What is the InChIKey of 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is MDVGOMGOYSTTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-2-30-17-6-11(24-21(28)15-5-3-4-14(25-15)19(22)23)7-27-8-16(26-20(17)27)18-12-9-29-10-13(12)18/h3-8,12-13,18-19H,2,9-10H2,1H3,(H,24,28).
What are the key properties of 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 414.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).