2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride

C25H23ClFN5O2 — CID 165141523

IUPAC2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride
SMILESCOc1ccc(-c2nc(N3CCC(N)CC3)c(C#N)cc2-c2ccc(C#N)c(F)c2)cc1O.Cl
InChIInChI=1S/C25H22FN5O2.ClH/c1-33-23-5-4-16(12-22(23)32)24-20(15-2-3-17(13-27)21(26)11-15)10-18(14-28)25(30-24)31-8-6-19(29)7-9-31;/h2-5,10-12,19,32H,6-9,29H2,1H3;1H
InChIKeyDRFSSZDVQSXQHM-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.36
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride

2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride (PubChem CID 165141523) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride
PubChem CID165141523
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC Name2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride
SMILESCOc1ccc(-c2nc(N3CCC(N)CC3)c(C#N)cc2-c2ccc(C#N)c(F)c2)cc1O.Cl
InChIInChI=1S/C25H22FN5O2.ClH/c1-33-23-5-4-16(12-22(23)32)24-20(15-2-3-17(13-27)21(26)11-15)10-18(14-28)25(30-24)31-8-6-19(29)7-9-31;/h2-5,10-12,19,32H,6-9,29H2,1H3;1H
InChIKeyDRFSSZDVQSXQHM-UHFFFAOYSA-N
XLogP4.36
TPSA119.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile
CID 171744070
2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 171743976
2-(4-amino-3-fluoropiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile
CID 171743667
6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 169103076
[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
4-[5-(4-aminopiperidin-1-yl)-6-methoxy-2-(2-methylindazol-6-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 118920640
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]benzonitrile
CID 122621730
2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-isocyanophenyl)-5-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-3-carbonitrile
CID 171743564
4-[2-(4-aminopiperidin-1-yl)-3-isocyano-5-(4-methoxyphenyl)-4-pyridinyl]-2-fluorobenzonitrile
CID 171743602
4-[6-(4-aminopiperidin-1-yl)-4-ethyl-3-[4-(methoxymethyl)phenyl]-5-oxopyrazin-2-yl]-2-fluorobenzonitrile
CID 129130561
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
4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile
CID 118614550

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride (CID 165141523) is 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride is COc1ccc(-c2nc(N3CCC(N)CC3)c(C#N)cc2-c2ccc(C#N)c(F)c2)cc1O.Cl.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride?
The InChIKey is DRFSSZDVQSXQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2.ClH/c1-33-23-5-4-16(12-22(23)32)24-20(15-2-3-17(13-27)21(26)11-15)10-18(14-28)25(30-24)31-8-6-19(29)7-9-31;/h2-5,10-12,19,32H,6-9,29H2,1H3;1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride?
2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride has a molecular weight of 479.94 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 165141523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).