2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride

C26H27Cl2N5O2 — CID 11420883

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride
SMILESCl.N[C@@H]1CCCN(c2nn3ccn(CC(=O)c4ccccc4)c(=O)c3c2Cc2ccccc2Cl)C1
InChIInChI=1S/C26H26ClN5O2.ClH/c27-22-11-5-4-9-19(22)15-21-24-26(34)31(17-23(33)18-7-2-1-3-8-18)13-14-32(24)29-25(21)30-12-6-10-20(28)16-30;/h1-5,7-9,11,13-14,20H,6,10,12,15-17,28H2;1H/t20-;/m1./s1
InChIKeyDMCTZQHUKANIGO-VEIFNGETSA-N
MW512.44 g/mol
LogP3.97
Rot. Bonds6

About 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride (PubChem CID 11420883) has the molecular formula C26H27Cl2N5O2 and a molecular weight of 512.44 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride
PubChem CID11420883
Molecular FormulaC26H27Cl2N5O2
Molecular Weight512.44 g/mol
Exact Mass511.15
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride
SMILESCl.N[C@@H]1CCCN(c2nn3ccn(CC(=O)c4ccccc4)c(=O)c3c2Cc2ccccc2Cl)C1
InChIInChI=1S/C26H26ClN5O2.ClH/c27-22-11-5-4-9-19(22)15-21-24-26(34)31(17-23(33)18-7-2-1-3-8-18)13-14-32(24)29-25(21)30-12-6-10-20(28)16-30;/h1-5,7-9,11,13-14,20H,6,10,12,15-17,28H2;1H/t20-;/m1./s1
InChIKeyDMCTZQHUKANIGO-VEIFNGETSA-N
XLogP3.97
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-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 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride (CID 11420883) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride is Cl.N[C@@H]1CCCN(c2nn3ccn(CC(=O)c4ccccc4)c(=O)c3c2Cc2ccccc2Cl)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride?
The InChIKey is DMCTZQHUKANIGO-VEIFNGETSA-N. The full InChI is InChI=1S/C26H26ClN5O2.ClH/c27-22-11-5-4-9-19(22)15-21-24-26(34)31(17-23(33)18-7-2-1-3-8-18)13-14-32(24)29-25(21)30-12-6-10-20(28)16-30;/h1-5,7-9,11,13-14,20H,6,10,12,15-17,28H2;1H/t20-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride has a molecular weight of 512.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-phenacylpyrazolo[1,5-a]pyrazin-4-one;hydrochloride is sourced from PubChem (CID 11420883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).