N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine

C25H19FN8O — CID 171803596

IUPACN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNc5nnc(-c6ccccc6)o5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C25H19FN8O/c1-34-14-18(13-29-34)22-30-21-19(9-10-27-23(21)31-22)16-7-8-17(20(26)11-16)12-28-25-33-32-24(35-25)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,28,33)(H,27,30,31)
InChIKeyZVBMVEVOTMANNU-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.83
Rot. Bonds6

About N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine

N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 171803596) has the molecular formula C25H19FN8O and a molecular weight of 466.48 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID171803596
Molecular FormulaC25H19FN8O
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC NameN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNc5nnc(-c6ccccc6)o5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C25H19FN8O/c1-34-14-18(13-29-34)22-30-21-19(9-10-27-23(21)31-22)16-7-8-17(20(26)11-16)12-28-25-33-32-24(35-25)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,28,33)(H,27,30,31)
InChIKeyZVBMVEVOTMANNU-UHFFFAOYSA-N
XLogP4.83
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine (CID 171803596) is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine is Cn1cc(-c2nc3nccc(-c4ccc(CNc5nnc(-c6ccccc6)o5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is ZVBMVEVOTMANNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN8O/c1-34-14-18(13-29-34)22-30-21-19(9-10-27-23(21)31-22)16-7-8-17(20(26)11-16)12-28-25-33-32-24(35-25)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,28,33)(H,27,30,31).
What are the key properties of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 466.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 171803596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).