(4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone

C20H25N7O — CID 53181449

IUPAC(4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone
SMILESCN(C)c1nc(C(=O)N2CCN(Cc3ccccc3)CC2)nc2c1cnn2C
InChIInChI=1S/C20H25N7O/c1-24(2)18-16-13-21-25(3)19(16)23-17(22-18)20(28)27-11-9-26(10-12-27)14-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3
InChIKeyXJDUYJKZBOJDIT-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.39
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone

(4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone (PubChem CID 53181449) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone
PubChem CID53181449
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone
SMILESCN(C)c1nc(C(=O)N2CCN(Cc3ccccc3)CC2)nc2c1cnn2C
InChIInChI=1S/C20H25N7O/c1-24(2)18-16-13-21-25(3)19(16)23-17(22-18)20(28)27-11-9-26(10-12-27)14-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3
InChIKeyXJDUYJKZBOJDIT-UHFFFAOYSA-N
XLogP1.39
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821362
N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119039115
(4-benzylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42880815
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
5-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-tert-butyl-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16881743
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
CID 146059672
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 110853051
(4-benzylpiperazin-1-yl)-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 24540168
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone (CID 53181449) is (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone is CN(C)c1nc(C(=O)N2CCN(Cc3ccccc3)CC2)nc2c1cnn2C.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone?
The InChIKey is XJDUYJKZBOJDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-24(2)18-16-13-21-25(3)19(16)23-17(22-18)20(28)27-11-9-26(10-12-27)14-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone?
(4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone has a molecular weight of 379.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(dimethylamino)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 53181449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).