4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine

C26H25F3N6 — CID 135329439

IUPAC4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine
SMILESC=Cn1c(-c2c(N)ncc(-c3cc(C)cc(F)c3)c2N2CCC(N)CC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C26H25F3N6/c1-3-35-22-12-20(29)19(28)11-21(22)33-26(35)23-24(34-6-4-17(30)5-7-34)18(13-32-25(23)31)15-8-14(2)9-16(27)10-15/h3,8-13,17H,1,4-7,30H2,2H3,(H2,31,32)
InChIKeyGFMOKYJGQGKMRU-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.10
Rot. Bonds4

About 4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine

4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine (PubChem CID 135329439) has the molecular formula C26H25F3N6 and a molecular weight of 478.52 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine
PubChem CID135329439
Molecular FormulaC26H25F3N6
Molecular Weight478.52 g/mol
Exact Mass478.21
IUPAC Name4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine
SMILESC=Cn1c(-c2c(N)ncc(-c3cc(C)cc(F)c3)c2N2CCC(N)CC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C26H25F3N6/c1-3-35-22-12-20(29)19(28)11-21(22)33-26(35)23-24(34-6-4-17(30)5-7-34)18(13-32-25(23)31)15-8-14(2)9-16(27)10-15/h3,8-13,17H,1,4-7,30H2,2H3,(H2,31,32)
InChIKeyGFMOKYJGQGKMRU-UHFFFAOYSA-N
XLogP5.10
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 135329336
4-(4-aminopiperidin-1-yl)-3-(6-ethynyl-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine
CID 135329350
2-[2-amino-4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-7-fluoro-3H-benzimidazole-5-carbonitrile
CID 135329391
4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-[4-methoxy-6-[(E)-methoxyiminomethyl]-1H-benzimidazol-2-yl]pyridin-2-amine
CID 135329345
4-(4-aminopiperidin-1-yl)-3-(6-chloro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-N-methylpyridin-2-amine;propane
CID 171804854
4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 146450396
1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057706
1-[3-(6-chloro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridazin-4-yl]piperidin-4-amine
CID 135329364
3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-fluoro-2-hydroxybenzonitrile
CID 140837070
4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-N-methylpyridine-2-carboxamide
CID 146450479
1-[3-(3-fluoro-5-methylphenyl)-5-[(E)-2-(3-fluorophenyl)ethenyl]-4-pyridinyl]piperidin-4-amine
CID 118057695
[3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-hydroxyphenyl]-(azetidin-1-yl)methanone
CID 134255290

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine (CID 135329439) is 4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine is C=Cn1c(-c2c(N)ncc(-c3cc(C)cc(F)c3)c2N2CCC(N)CC2)nc2cc(F)c(F)cc21.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine?
The InChIKey is GFMOKYJGQGKMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6/c1-3-35-22-12-20(29)19(28)11-21(22)33-26(35)23-24(34-6-4-17(30)5-7-34)18(13-32-25(23)31)15-8-14(2)9-16(27)10-15/h3,8-13,17H,1,4-7,30H2,2H3,(H2,31,32).
What are the key properties of 4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine?
4-(4-aminopiperidin-1-yl)-3-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine has a molecular weight of 478.52 g/mol, XLogP of 5.10, 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-(1-ethenyl-5,6-difluorobenzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 135329439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).