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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Related Compounds

Serabelisib
CID 70798655
Bay 61-3606
CID 10200390
(5r)-8-Amino-3-Fluoro-5,19-Dimethyl-20-Oxo-5,18,19,20-Tetrahydro-11,7-(Azeno)pyrido[2',1':2,3]imidazo[4,5-H][2,5,11]benzoxadiazacyclotetradecine-14-Carbonitrile
CID 89816720
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 90286489
N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridine-8-carboxamide
CID 118103874
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383132
PF-03716556
CID 25134521
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
CID 134144954
7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 70689446
Ethyl 2,3-dimethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxylate
CID 9946403

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).