3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide

C25H24FN7O2 — CID 121249690

IUPAC3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cc(C(C)(C)C)no5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C25H24FN7O2/c1-25(2,3)20-10-19(35-32-20)24(34)28-11-15-6-5-14(9-18(15)26)17-7-8-27-23-21(17)30-22(31-23)16-12-29-33(4)13-16/h5-10,12-13H,11H2,1-4H3,(H,28,34)(H,27,30,31)
InChIKeyGUHXRVDXLVSTPU-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.38
Rot. Bonds5

About 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide

3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 121249690) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID121249690
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cc(C(C)(C)C)no5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C25H24FN7O2/c1-25(2,3)20-10-19(35-32-20)24(34)28-11-15-6-5-14(9-18(15)26)17-7-8-27-23-21(17)30-22(31-23)16-12-29-33(4)13-16/h5-10,12-13H,11H2,1-4H3,(H,28,34)(H,27,30,31)
InChIKeyGUHXRVDXLVSTPU-UHFFFAOYSA-N
XLogP4.38
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide (CID 121249690) is 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cc(C(C)(C)C)no5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is GUHXRVDXLVSTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-25(2,3)20-10-19(35-32-20)24(34)28-11-15-6-5-14(9-18(15)26)17-7-8-27-23-21(17)30-22(31-23)16-12-29-33(4)13-16/h5-10,12-13H,11H2,1-4H3,(H,28,34)(H,27,30,31).
What are the key properties of 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?
3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121249690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).