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

C26H25FN6O2 — CID 146970408

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCn1cc(-c2nc3nccc(-c4ccc(CCC(=O)c5cc(C(C)(C)C)on5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C26H25FN6O2/c1-26(2,3)22-12-20(32-35-22)21(34)8-7-15-5-6-16(11-19(15)27)18-9-10-28-25-23(18)30-24(31-25)17-13-29-33(4)14-17/h5-6,9-14H,7-8H2,1-4H3,(H,28,30,31)
InChIKeyAMHSLAPVMFQBKA-UHFFFAOYSA-N
MW472.52 g/mol
LogP5.27
Rot. Bonds6

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 146970408) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
PubChem CID146970408
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCn1cc(-c2nc3nccc(-c4ccc(CCC(=O)c5cc(C(C)(C)C)on5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C26H25FN6O2/c1-26(2,3)22-12-20(32-35-22)21(34)8-7-15-5-6-16(11-19(15)27)18-9-10-28-25-23(18)30-24(31-25)17-13-29-33(4)14-17/h5-6,9-14H,7-8H2,1-4H3,(H,28,30,31)
InChIKeyAMHSLAPVMFQBKA-UHFFFAOYSA-N
XLogP5.27
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 146970408) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is Cn1cc(-c2nc3nccc(-c4ccc(CCC(=O)c5cc(C(C)(C)C)on5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The InChIKey is AMHSLAPVMFQBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-26(2,3)22-12-20(32-35-22)21(34)8-7-15-5-6-16(11-19(15)27)18-9-10-28-25-23(18)30-24(31-25)17-13-29-33(4)14-17/h5-6,9-14H,7-8H2,1-4H3,(H,28,30,31).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 472.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 146970408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).