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3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine

C30H28F3N7O2 — CID 155729637

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine
SMILESCN1CCCCC1.O=c1[nH]c2cc(-c3cccc4[nH]ccc34)c(F)cc2n1Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C24H15F3N6O2.C6H13N/c25-17-9-20-19(8-16(17)14-2-1-3-18-15(14)6-7-28-18)30-24(34)33(20)11-13-5-4-12(10-29-13)22-31-32-23(35-22)21(26)27;1-7-5-3-2-4-6-7/h1-10,21,28H,11H2,(H,30,34);2-6H2,1H3
InChIKeyBFGGKSSKZBWZOR-UHFFFAOYSA-N
MW575.60 g/mol
LogP6.15
Rot. Bonds5

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine (PubChem CID 155729637) has the molecular formula C30H28F3N7O2 and a molecular weight of 575.60 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine.

Molecular Properties

Compound Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine
PubChem CID155729637
Molecular FormulaC30H28F3N7O2
Molecular Weight575.60 g/mol
Exact Mass575.23
IUPAC Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine
SMILESCN1CCCCC1.O=c1[nH]c2cc(-c3cccc4[nH]ccc34)c(F)cc2n1Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C24H15F3N6O2.C6H13N/c25-17-9-20-19(8-16(17)14-2-1-3-18-15(14)6-7-28-18)30-24(34)33(20)11-13-5-4-12(10-29-13)22-31-32-23(35-22)21(26)27;1-7-5-3-2-4-6-7/h1-10,21,28H,11H2,(H,30,34);2-6H2,1H3
InChIKeyBFGGKSSKZBWZOR-UHFFFAOYSA-N
XLogP6.15
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.60
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine?
The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine (CID 155729637) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine.
What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine?
The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine is CN1CCCCC1.O=c1[nH]c2cc(-c3cccc4[nH]ccc34)c(F)cc2n1Cc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine?
The InChIKey is BFGGKSSKZBWZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O2.C6H13N/c25-17-9-20-19(8-16(17)14-2-1-3-18-15(14)6-7-28-18)30-24(34)33(20)11-13-5-4-12(10-29-13)22-31-32-23(35-22)21(26)27;1-7-5-3-2-4-6-7/h1-10,21,28H,11H2,(H,30,34);2-6H2,1H3.
What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine?
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine has a molecular weight of 575.60 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine is sourced from PubChem (CID 155729637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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