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

C27H25FN6O3 — CID 157496608

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCOc1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5nc(C(C)(C)C)no5)c(F)c4)c3[nH]2)nc1
InChIInChI=1S/C27H25FN6O3/c1-27(2,3)26-33-25(37-34-26)21(35)10-7-15-5-6-16(13-19(15)28)18-11-12-29-24-22(18)31-23(32-24)20-9-8-17(36-4)14-30-20/h5-6,8-9,11-14H,7,10H2,1-4H3,(H,29,31,32)
InChIKeyBXXIETWYJHYZTA-UHFFFAOYSA-N
MW500.53 g/mol
LogP5.33
Rot. Bonds7

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

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 157496608) has the molecular formula C27H25FN6O3 and a molecular weight of 500.53 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
PubChem CID157496608
Molecular FormulaC27H25FN6O3
Molecular Weight500.53 g/mol
Exact Mass500.20
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCOc1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5nc(C(C)(C)C)no5)c(F)c4)c3[nH]2)nc1
InChIInChI=1S/C27H25FN6O3/c1-27(2,3)26-33-25(37-34-26)21(35)10-7-15-5-6-16(13-19(15)28)18-11-12-29-24-22(18)31-23(32-24)20-9-8-17(36-4)14-30-20/h5-6,8-9,11-14H,7,10H2,1-4H3,(H,29,31,32)
InChIKeyBXXIETWYJHYZTA-UHFFFAOYSA-N
XLogP5.33
TPSA119.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

US11098041, Example 19
CID 121249780
US11098041, Example 159
CID 121249834
[3-methoxy-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 168272435
US9796708, Example 870
CID 90420475
US11098041, Example 158
CID 121249707
US11098041, Example 78
CID 121249746
US11098041, Example 73
CID 121249753
US11098041, Example 151
CID 121249783
US11098041, Example 74
CID 121249786
US11098041, Example 75
CID 121249837
US11098041, Example 152
CID 121249843
US11098041, Example 161
CID 121250038

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 157496608) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is COc1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5nc(C(C)(C)C)no5)c(F)c4)c3[nH]2)nc1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The InChIKey is BXXIETWYJHYZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O3/c1-27(2,3)26-33-25(37-34-26)21(35)10-7-15-5-6-16(13-19(15)28)18-11-12-29-24-22(18)31-23(32-24)20-9-8-17(36-4)14-30-20/h5-6,8-9,11-14H,7,10H2,1-4H3,(H,29,31,32).
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 500.53 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 157496608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).