1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride

C22H24ClN5O — CID 22097364

IUPAC1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride
SMILESCc1c(C(=O)CCN2CC=C(c3ccccc3)CC2)cnn1-c1ncccn1.Cl
InChIInChI=1S/C22H23N5O.ClH/c1-17-20(16-25-27(17)22-23-11-5-12-24-22)21(28)10-15-26-13-8-19(9-14-26)18-6-3-2-4-7-18;/h2-8,11-12,16H,9-10,13-15H2,1H3;1H
InChIKeyOKJPOBMOKITRIO-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.75
Rot. Bonds6

About 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride

1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride (PubChem CID 22097364) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride
PubChem CID22097364
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride
SMILESCc1c(C(=O)CCN2CC=C(c3ccccc3)CC2)cnn1-c1ncccn1.Cl
InChIInChI=1S/C22H23N5O.ClH/c1-17-20(16-25-27(17)22-23-11-5-12-24-22)21(28)10-15-26-13-8-19(9-14-26)18-6-3-2-4-7-18;/h2-8,11-12,16H,9-10,13-15H2,1H3;1H
InChIKeyOKJPOBMOKITRIO-UHFFFAOYSA-N
XLogP3.75
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride (CID 22097364) is 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride is Cc1c(C(=O)CCN2CC=C(c3ccccc3)CC2)cnn1-c1ncccn1.Cl.
What is the InChIKey of 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride?
The InChIKey is OKJPOBMOKITRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.ClH/c1-17-20(16-25-27(17)22-23-11-5-12-24-22)21(28)10-15-26-13-8-19(9-14-26)18-6-3-2-4-7-18;/h2-8,11-12,16H,9-10,13-15H2,1H3;1H.
What are the key properties of 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride?
1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride has a molecular weight of 409.92 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 22097364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).