6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C21H22F2N4O3 — CID 154655542

IUPAC6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C21H22F2N4O3/c1-2-30-18-10-19-25-16(13-6-8-29-9-7-13)11-27(19)12-17(18)26-21(28)15-5-3-4-14(24-15)20(22)23/h3-5,10-13,20H,2,6-9H2,1H3,(H,26,28)
InChIKeyYUMXTONMSBGGNN-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.21
Rot. Bonds6

About 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655542) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655542
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C21H22F2N4O3/c1-2-30-18-10-19-25-16(13-6-8-29-9-7-13)11-27(19)12-17(18)26-21(28)15-5-3-4-14(24-15)20(22)23/h3-5,10-13,20H,2,6-9H2,1H3,(H,26,28)
InChIKeyYUMXTONMSBGGNN-UHFFFAOYSA-N
XLogP4.21
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655542) is 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is YUMXTONMSBGGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-2-30-18-10-19-25-16(13-6-8-29-9-7-13)11-27(19)12-17(18)26-21(28)15-5-3-4-14(24-15)20(22)23/h3-5,10-13,20H,2,6-9H2,1H3,(H,26,28).
What are the key properties of 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).