6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile

C25H22FN5O2 — CID 171744070

IUPAC6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile
SMILESCOc1ccc(-c2c(C#N)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1O
InChIInChI=1S/C25H22FN5O2/c1-33-22-5-4-15(11-21(22)32)24-18(14-28)12-23(31-8-6-19(29)7-9-31)30-25(24)16-2-3-17(13-27)20(26)10-16/h2-5,10-12,19,32H,6-9,29H2,1H3
InChIKeyUFCQLHHSFDFXAV-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.94
Rot. Bonds4

About 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile

6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile (PubChem CID 171744070) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile
PubChem CID171744070
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile
SMILESCOc1ccc(-c2c(C#N)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1O
InChIInChI=1S/C25H22FN5O2/c1-33-22-5-4-15(11-21(22)32)24-18(14-28)12-23(31-8-6-19(29)7-9-31)30-25(24)16-2-3-17(13-27)20(26)10-16/h2-5,10-12,19,32H,6-9,29H2,1H3
InChIKeyUFCQLHHSFDFXAV-UHFFFAOYSA-N
XLogP3.94
TPSA119.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile with MolForge

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Related Compounds

6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 169103076
2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride
CID 165141523
2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 171743976
2-(4-cyano-3-fluorophenyl)-6-(1,4-diazepan-1-yl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 169103086
2-(4-amino-3-fluoropiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile
CID 171743667
[1-[5-(4-cyano-3-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridin-7-yl]piperidin-4-yl] carbamate
CID 175487723
[1-[4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 135369462
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-4-yl]benzonitrile
CID 118490179
4-[2-(4-aminopiperidin-1-yl)-3-isocyano-5-(4-methoxyphenyl)-4-pyridinyl]-2-fluorobenzonitrile
CID 171743602
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-3-oxido-4H-pyrimidin-3-ium-6-yl]-2-fluorobenzonitrile
CID 146472672
tert-butyl N-[1-[6-chloro-4-cyano-5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 169103081
4-[2-(4-aminopiperidin-1-yl)-1-methyl-5-[4-(methylamino)phenyl]-6-oxopyrimidin-4-yl]-2-fluorobenzonitrile
CID 118483216

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile (CID 171744070) is 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile is COc1ccc(-c2c(C#N)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1O.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile?
The InChIKey is UFCQLHHSFDFXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-33-22-5-4-15(11-21(22)32)24-18(14-28)12-23(31-8-6-19(29)7-9-31)30-25(24)16-2-3-17(13-27)20(26)10-16/h2-5,10-12,19,32H,6-9,29H2,1H3.
What are the key properties of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile?
6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile has a molecular weight of 443.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 171744070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).