2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C25H27N7O — CID 46917597

IUPAC2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1
InChIInChI=1S/C25H27N7O/c1-16(2)32-10-8-31(9-11-32)15-24-29-30-25(33-24)20-12-17(13-23-21(20)14-27-28-23)18-4-3-5-22-19(18)6-7-26-22/h3-7,12-14,16,26H,8-11,15H2,1-2H3,(H,27,28)
InChIKeyLXFUMPCBYPVTPD-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.29
Rot. Bonds5

About 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 46917597) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID46917597
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1
InChIInChI=1S/C25H27N7O/c1-16(2)32-10-8-31(9-11-32)15-24-29-30-25(33-24)20-12-17(13-23-21(20)14-27-28-23)18-4-3-5-22-19(18)6-7-26-22/h3-7,12-14,16,26H,8-11,15H2,1-2H3,(H,27,28)
InChIKeyLXFUMPCBYPVTPD-UHFFFAOYSA-N
XLogP4.29
TPSA89.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

Nemiralisib
CID 49784002
Methyl 3-[5-(morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carboxylate
CID 135414445
2-(6-(1H-Indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole hydrochloride
CID 49784084
CARM1 inhibitor 2
CID 50937454
CID 127031964
CID 127031964
[(2S)-1-[[3-[5-[5-(1H-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-1-oxopropan-2-yl]azanium
CID 72199610
5-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 68356848
2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443289
2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 155807611
4-(5-{[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl}-1,3,4-oxadiazol-2-yl)-6-(1H-indol-4-yl)-1H-indazole
CID 66776828
US9567339, Example E.9.23
CID 117773364
US9567339, Example E.9.24
CID 117773476

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 46917597) is 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is CC(C)N1CCN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1.
What is the InChIKey of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is LXFUMPCBYPVTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-16(2)32-10-8-31(9-11-32)15-24-29-30-25(33-24)20-12-17(13-23-21(20)14-27-28-23)18-4-3-5-22-19(18)6-7-26-22/h3-7,12-14,16,26H,8-11,15H2,1-2H3,(H,27,28).
What are the key properties of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 441.54 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 46917597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).