ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one

C25H28N6O — CID 143458278

IUPACethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one
SMILESCC.CN1CC2(C1)CN(c1ccc3nc(-c4cc(-c5cccnc5)c[nH]c4=O)[nH]c3c1)C2
InChIInChI=1S/C23H22N6O.C2H6/c1-28-11-23(12-28)13-29(14-23)17-4-5-19-20(8-17)27-21(26-19)18-7-16(10-25-22(18)30)15-3-2-6-24-9-15;1-2/h2-10H,11-14H2,1H3,(H,25,30)(H,26,27);1-2H3
InChIKeyKTJYYYVDAVRXGF-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.76
Rot. Bonds3

About ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one

ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one (PubChem CID 143458278) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one
PubChem CID143458278
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Nameethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one
SMILESCC.CN1CC2(C1)CN(c1ccc3nc(-c4cc(-c5cccnc5)c[nH]c4=O)[nH]c3c1)C2
InChIInChI=1S/C23H22N6O.C2H6/c1-28-11-23(12-28)13-29(14-23)17-4-5-19-20(8-17)27-21(26-19)18-7-16(10-25-22(18)30)15-3-2-6-24-9-15;1-2/h2-10H,11-14H2,1H3,(H,25,30)(H,26,27);1-2H3
InChIKeyKTJYYYVDAVRXGF-UHFFFAOYSA-N
XLogP3.76
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one with MolForge

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Related Compounds

5-[4-(hydroxymethyl)phenyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 137146396
3-(6-methyl-1H-benzimidazol-2-yl)-5-pyridin-4-yl-1H-pyridin-2-one
CID 137148027
5-[3,5-difluoro-4-(hydroxymethyl)phenyl]-3-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 137148023
5-[3,5-difluoro-4-(hydroxymethyl)phenyl]-3-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one;dihydrochloride
CID 140857232
2H-pyrrolo[3,4-c]azepin-1-one
CID 151121436
1-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2-one
CID 57336746
7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
CID 22162263
5-chloro-3-pyridin-3-yl-1H-pyridin-2-one
CID 46315316
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70421400
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
CID 59784658
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064

Frequently Asked Questions

What is the IUPAC name of ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one?
The IUPAC name of ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one (CID 143458278) is ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one?
The canonical SMILES for ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one is CC.CN1CC2(C1)CN(c1ccc3nc(-c4cc(-c5cccnc5)c[nH]c4=O)[nH]c3c1)C2.
What is the InChIKey of ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one?
The InChIKey is KTJYYYVDAVRXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O.C2H6/c1-28-11-23(12-28)13-29(14-23)17-4-5-19-20(8-17)27-21(26-19)18-7-16(10-25-22(18)30)15-3-2-6-24-9-15;1-2/h2-10H,11-14H2,1H3,(H,25,30)(H,26,27);1-2H3.
What are the key properties of ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one?
ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one has a molecular weight of 428.54 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyridin-2-one is sourced from PubChem (CID 143458278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).