5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine

C19H19FN8O — CID 164938860

IUPAC5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCN1CCN(c2cc3nc(Nc4nnc(-c5ccc(F)cc5)o4)[nH]c3cn2)CC1
InChIInChI=1S/C19H19FN8O/c1-27-6-8-28(9-7-27)16-10-14-15(11-21-16)23-18(22-14)24-19-26-25-17(29-19)12-2-4-13(20)5-3-12/h2-5,10-11H,6-9H2,1H3,(H2,22,23,24,26)
InChIKeyXFDORMPPXZAJJH-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.64
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine

5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 164938860) has the molecular formula C19H19FN8O and a molecular weight of 394.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID164938860
Molecular FormulaC19H19FN8O
Molecular Weight394.41 g/mol
Exact Mass394.17
IUPAC Name5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCN1CCN(c2cc3nc(Nc4nnc(-c5ccc(F)cc5)o4)[nH]c3cn2)CC1
InChIInChI=1S/C19H19FN8O/c1-27-6-8-28(9-7-27)16-10-14-15(11-21-16)23-18(22-14)24-19-26-25-17(29-19)12-2-4-13(20)5-3-12/h2-5,10-11H,6-9H2,1H3,(H2,22,23,24,26)
InChIKeyXFDORMPPXZAJJH-UHFFFAOYSA-N
XLogP2.64
TPSA99.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (CID 164938860) is 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is CN1CCN(c2cc3nc(Nc4nnc(-c5ccc(F)cc5)o4)[nH]c3cn2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XFDORMPPXZAJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8O/c1-27-6-8-28(9-7-27)16-10-14-15(11-21-16)23-18(22-14)24-19-26-25-17(29-19)12-2-4-13(20)5-3-12/h2-5,10-11H,6-9H2,1H3,(H2,22,23,24,26).
What are the key properties of 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 394.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164938860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).