5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile

C22H24N6O — CID 118294973

IUPAC5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile
SMILESCOc1cc(C2CCN(C)CC2)ccc1-c1cc(Nc2ccc(C#N)nc2)n[nH]1
InChIInChI=1S/C22H24N6O/c1-28-9-7-15(8-10-28)16-3-6-19(21(11-16)29-2)20-12-22(27-26-20)25-18-5-4-17(13-23)24-14-18/h3-6,11-12,14-15H,7-10H2,1-2H3,(H2,25,26,27)
InChIKeyVTBYVHMVOAMDRZ-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.90
Rot. Bonds5

About 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile

5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 118294973) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile
PubChem CID118294973
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile
SMILESCOc1cc(C2CCN(C)CC2)ccc1-c1cc(Nc2ccc(C#N)nc2)n[nH]1
InChIInChI=1S/C22H24N6O/c1-28-9-7-15(8-10-28)16-3-6-19(21(11-16)29-2)20-12-22(27-26-20)25-18-5-4-17(13-23)24-14-18/h3-6,11-12,14-15H,7-10H2,1-2H3,(H2,25,26,27)
InChIKeyVTBYVHMVOAMDRZ-UHFFFAOYSA-N
XLogP3.90
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-[2-methoxy-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294952
5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166726460
5-[[5-[4-(3-fluoro-1-methylazetidin-3-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294792
5-[[5-[4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 158433592
5-bromo-2-isocyanopyridine;tert-butyl 4-[4-(3-amino-1H-pyrazol-5-yl)-3-methoxyphenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[3-[(6-isocyano-3-pyridinyl)amino]-1H-pyrazol-5-yl]-3-methoxyphenyl]piperazine-1-carboxylate;6-isocyano-N-[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]pyridin-3-amine;6-isocyano-N-[5-(2-methoxy-4-piperazin-1-ylphenyl)-1H-pyrazol-3-yl]pyridin-3-amine
CID 158691392
5-[[5-[4-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294831
5-[[5-[2-methoxy-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxymethyl]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294914
5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
CID 142751525
5-[[5-[2-methoxy-4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294740
5-[[5-[4-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294648
5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294766
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile (CID 118294973) is 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile is COc1cc(C2CCN(C)CC2)ccc1-c1cc(Nc2ccc(C#N)nc2)n[nH]1.
What is the InChIKey of 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is VTBYVHMVOAMDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-28-9-7-15(8-10-28)16-3-6-19(21(11-16)29-2)20-12-22(27-26-20)25-18-5-4-17(13-23)24-14-18/h3-6,11-12,14-15H,7-10H2,1-2H3,(H2,25,26,27).
What are the key properties of 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile?
5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 388.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 118294973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).