4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile

C26H24F2N6O — CID 146450473

IUPAC4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile
SMILESCOc1cc(F)cc2[nH]c(-c3c(C#N)ncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)nc12
InChIInChI=1S/C26H24F2N6O/c1-14-7-15(9-16(27)8-14)19-13-31-21(12-29)23(25(19)34-5-3-18(30)4-6-34)26-32-20-10-17(28)11-22(35-2)24(20)33-26/h7-11,13,18H,3-6,30H2,1-2H3,(H,32,33)
InChIKeyLIEKIPDHLZCKJD-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.69
Rot. Bonds4

About 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile

4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile (PubChem CID 146450473) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile
PubChem CID146450473
Molecular FormulaC26H24F2N6O
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile
SMILESCOc1cc(F)cc2[nH]c(-c3c(C#N)ncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)nc12
InChIInChI=1S/C26H24F2N6O/c1-14-7-15(9-16(27)8-14)19-13-31-21(12-29)23(25(19)34-5-3-18(30)4-6-34)26-32-20-10-17(28)11-22(35-2)24(20)33-26/h7-11,13,18H,3-6,30H2,1-2H3,(H,32,33)
InChIKeyLIEKIPDHLZCKJD-UHFFFAOYSA-N
XLogP4.69
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

AZ191
CID 72716071
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
Branosotine
CID 146450467
8-[(5-methoxy-2-methylphenyl)amino]-2-{[2-(morpholin-4-yl)ethyl]amino}-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330118
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 9798593
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
6-Methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline
CID 49821627
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-6-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-4-amine
CID 118735323
1,8-Bis(2-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 127038170
8-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline
CID 127038511

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile (CID 146450473) is 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile is COc1cc(F)cc2[nH]c(-c3c(C#N)ncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)nc12.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile?
The InChIKey is LIEKIPDHLZCKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O/c1-14-7-15(9-16(27)8-14)19-13-31-21(12-29)23(25(19)34-5-3-18(30)4-6-34)26-32-20-10-17(28)11-22(35-2)24(20)33-26/h7-11,13,18H,3-6,30H2,1-2H3,(H,32,33).
What are the key properties of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile?
4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile has a molecular weight of 474.52 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 146450473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).