1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one

C28H28FN7O2 — CID 146999615

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one
SMILESCN(C)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)nc1
InChIInChI=1S/C28H28FN7O2/c1-28(2,3)27-34-25(35-38-27)22(37)11-8-16-6-7-17(14-20(16)29)19-12-13-30-26-23(19)32-24(33-26)21-10-9-18(15-31-21)36(4)5/h6-7,9-10,12-15H,8,11H2,1-5H3,(H,30,32,33)
InChIKeyARTWTIJOEFJVNP-UHFFFAOYSA-N
MW513.58 g/mol
LogP5.39
Rot. Bonds7

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one (PubChem CID 146999615) has the molecular formula C28H28FN7O2 and a molecular weight of 513.58 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one
PubChem CID146999615
Molecular FormulaC28H28FN7O2
Molecular Weight513.58 g/mol
Exact Mass513.23
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one
SMILESCN(C)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)nc1
InChIInChI=1S/C28H28FN7O2/c1-28(2,3)27-34-25(35-38-27)22(37)11-8-16-6-7-17(14-20(16)29)19-12-13-30-26-23(19)32-24(33-26)21-10-9-18(15-31-21)36(4)5/h6-7,9-10,12-15H,8,11H2,1-5H3,(H,30,32,33)
InChIKeyARTWTIJOEFJVNP-UHFFFAOYSA-N
XLogP5.39
TPSA113.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.58
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one with MolForge

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Related Compounds

3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
CID 121249896
US11098041, Example 116
CID 121249996
US11098041, Example 187
CID 121250008
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-1-methyl-N-[(E)-3-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]prop-2-enyl]imidazole-2-carboxamide
CID 76313781
3-(4-Piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carboxamide
CID 58266373
N-Ethyl-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carboxamide
CID 58266536
N-[4-fluoro-3-(6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 76310660
N-[4-fluoro-3-[6-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76317857
N-[3-[6-(3-acetylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76321575
US11098041, Example 168
CID 121249903
US11098041, Example 28
CID 121249953
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one
CID 129104202

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one (CID 146999615) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one is CN(C)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)nc1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one?
The InChIKey is ARTWTIJOEFJVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O2/c1-28(2,3)27-34-25(35-38-27)22(37)11-8-16-6-7-17(14-20(16)29)19-12-13-30-26-23(19)32-24(33-26)21-10-9-18(15-31-21)36(4)5/h6-7,9-10,12-15H,8,11H2,1-5H3,(H,30,32,33).
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one has a molecular weight of 513.58 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one is sourced from PubChem (CID 146999615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).