5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

C19H17F2N7O — CID 66555075

IUPAC5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCC(F)(F)CC5)n4)c3c2)o1
InChIInChI=1S/C19H17F2N7O/c20-19(21)3-5-28(6-4-19)16-10-23-9-15(25-16)13-8-24-14-2-1-11(7-12(13)14)17-26-27-18(22)29-17/h1-2,7-10,24H,3-6H2,(H2,22,27)
InChIKeyVMTDEYJXDXLJNT-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.49
Rot. Bonds3

About 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 66555075) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID66555075
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCC(F)(F)CC5)n4)c3c2)o1
InChIInChI=1S/C19H17F2N7O/c20-19(21)3-5-28(6-4-19)16-10-23-9-15(25-16)13-8-24-14-2-1-11(7-12(13)14)17-26-27-18(22)29-17/h1-2,7-10,24H,3-6H2,(H2,22,27)
InChIKeyVMTDEYJXDXLJNT-UHFFFAOYSA-N
XLogP3.49
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554898
2-[12-[4-(Piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole
CID 58266341
N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162660174
methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54771763
5-(1H-indol-5-yl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 77106364
3-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(1H-indol-5-yl)-2-pyridinamine
CID 77106960
Topoisomerase I inhibitor 6
CID 153370123
5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 60202646
5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554555
5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554557
5-(3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 66554727
5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554728

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 66555075) is 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCC(F)(F)CC5)n4)c3c2)o1.
What is the InChIKey of 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VMTDEYJXDXLJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c20-19(21)3-5-28(6-4-19)16-10-23-9-15(25-16)13-8-24-14-2-1-11(7-12(13)14)17-26-27-18(22)29-17/h1-2,7-10,24H,3-6H2,(H2,22,27).
What are the key properties of 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 397.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66555075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).