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

C31H32FN7O2 — CID 149155749

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCCC6)cn5)[nH]c34)cc2F)no1
InChIInChI=1S/C31H32FN7O2/c1-31(2,3)30-37-28(38-41-30)25(40)12-9-19-7-8-20(17-23(19)32)22-13-14-33-29-26(22)35-27(36-29)24-11-10-21(18-34-24)39-15-5-4-6-16-39/h7-8,10-11,13-14,17-18H,4-6,9,12,15-16H2,1-3H3,(H,33,35,36)
InChIKeyROUDALQOPAXWIM-UHFFFAOYSA-N
MW553.64 g/mol
LogP6.31
Rot. Bonds7

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

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 149155749) has the molecular formula C31H32FN7O2 and a molecular weight of 553.64 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
PubChem CID149155749
Molecular FormulaC31H32FN7O2
Molecular Weight553.64 g/mol
Exact Mass553.26
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCCC6)cn5)[nH]c34)cc2F)no1
InChIInChI=1S/C31H32FN7O2/c1-31(2,3)30-37-28(38-41-30)25(40)12-9-19-7-8-20(17-23(19)32)22-13-14-33-29-26(22)35-27(36-29)24-11-10-21(18-34-24)39-15-5-4-6-16-39/h7-8,10-11,13-14,17-18H,4-6,9,12,15-16H2,1-3H3,(H,33,35,36)
InChIKeyROUDALQOPAXWIM-UHFFFAOYSA-N
XLogP6.31
TPSA113.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.64
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

US11098041, Example 116
CID 121249996
3-(4-Piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carboxamide
CID 58266373
3-[4-(4-Methylpiperazin-1-yl)-phenyl]-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carboxylic acid amide
CID 58266437
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-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76317857
US11098041, Example 28
CID 121249953
US11071730, Example 160
CID 146640060
US20230339939, Example 6
CID 162687674
4-[4-[6-[(3-fluorophenyl)methylamino]pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide
CID 86293204
1-[4-[4-[6-[(3-fluorophenyl)methylamino]pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 90412438
5-fluoro-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 90683858
5-[4-[4-[5-[4-(difluoromethyl)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-methyl-pyridine-2-carboxamide
CID 118413886

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 149155749) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCCC6)cn5)[nH]c34)cc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The InChIKey is ROUDALQOPAXWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O2/c1-31(2,3)30-37-28(38-41-30)25(40)12-9-19-7-8-20(17-23(19)32)22-13-14-33-29-26(22)35-27(36-29)24-11-10-21(18-34-24)39-15-5-4-6-16-39/h7-8,10-11,13-14,17-18H,4-6,9,12,15-16H2,1-3H3,(H,33,35,36).
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 553.64 g/mol, XLogP of 6.31, 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-[2-fluoro-4-[2-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 149155749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).