2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide

C21H16F2N4O2 — CID 71819546

IUPAC2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESNC(=O)c1cccn2cc(-c3cccc(-c4cncc(OCC(F)F)c4)c3)nc12
InChIInChI=1S/C21H16F2N4O2/c22-19(23)12-29-16-8-15(9-25-10-16)13-3-1-4-14(7-13)18-11-27-6-2-5-17(20(24)28)21(27)26-18/h1-11,19H,12H2,(H2,24,28)
InChIKeyNNRDUFIZBCWCRB-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.81
Rot. Bonds6

About 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide

2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 71819546) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID71819546
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESNC(=O)c1cccn2cc(-c3cccc(-c4cncc(OCC(F)F)c4)c3)nc12
InChIInChI=1S/C21H16F2N4O2/c22-19(23)12-29-16-8-15(9-25-10-16)13-3-1-4-14(7-13)18-11-27-6-2-5-17(20(24)28)21(27)26-18/h1-11,19H,12H2,(H2,24,28)
InChIKeyNNRDUFIZBCWCRB-UHFFFAOYSA-N
XLogP3.81
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 71819546) is 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide is NC(=O)c1cccn2cc(-c3cccc(-c4cncc(OCC(F)F)c4)c3)nc12.
What is the InChIKey of 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is NNRDUFIZBCWCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c22-19(23)12-29-16-8-15(9-25-10-16)13-3-1-4-14(7-13)18-11-27-6-2-5-17(20(24)28)21(27)26-18/h1-11,19H,12H2,(H2,24,28).
What are the key properties of 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2,2-difluoroethoxy)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 71819546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).