(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate

C19H22N6O3 — CID 135789958

IUPAC(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
SMILESCN1CCN(Cc2ccc(C(=O)OCn3ncc4c(=O)[nH]cnc43)cc2)CC1
InChIInChI=1S/C19H22N6O3/c1-23-6-8-24(9-7-23)11-14-2-4-15(5-3-14)19(27)28-13-25-17-16(10-22-25)18(26)21-12-20-17/h2-5,10,12H,6-9,11,13H2,1H3,(H,20,21,26)
InChIKeyWSZAZCDUADBCFY-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.68
Rot. Bonds5

About (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate

(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate (PubChem CID 135789958) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
PubChem CID135789958
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
SMILESCN1CCN(Cc2ccc(C(=O)OCn3ncc4c(=O)[nH]cnc43)cc2)CC1
InChIInChI=1S/C19H22N6O3/c1-23-6-8-24(9-7-23)11-14-2-4-15(5-3-14)19(27)28-13-25-17-16(10-22-25)18(26)21-12-20-17/h2-5,10,12H,6-9,11,13H2,1H3,(H,20,21,26)
InChIKeyWSZAZCDUADBCFY-UHFFFAOYSA-N
XLogP0.68
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate 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

ethyl 4-[3-[(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentan-3-yl]benzoate
CID 136059337
2-[2-(4-Oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetylamino]-benzoic acid methyl ester
CID 650943
Ethyl 5-benzamido-1-[2-(benzoyloxy)ethyl]-1H-pyrazole-4-carboxylate
CID 6620111
methyl 4-[[(6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carbonyl)amino]methyl]benzoate
CID 57878353
ethyl 2-(2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamido)benzoate
CID 3243625
Methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 24790678
methyl 4-[(4-{5-[(cyclopropylcarbonyl)amino]-1H-pyrazol-1-yl}-1-piperidinyl)methyl]benzoate
CID 24817369
methyl 4-(1-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoate
CID 135632598
(4-Oxo-2,4-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 4-[(dimethylamino)methyl]benzoate
CID 135789938
(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 4-(morpholin-4-ylmethyl)benzoate
CID 135789953
1-[[3-(Morpholinomethyl)benzoyloxy]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135789954
(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 3-[(4-methylpiperazin-1-yl)methyl]benzoate
CID 135789959

Frequently Asked Questions

What is the IUPAC name of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate?
The IUPAC name of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate (CID 135789958) is (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate.
What is the SMILES notation for (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate?
The canonical SMILES for (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate is CN1CCN(Cc2ccc(C(=O)OCn3ncc4c(=O)[nH]cnc43)cc2)CC1.
What is the InChIKey of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate?
The InChIKey is WSZAZCDUADBCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-23-6-8-24(9-7-23)11-14-2-4-15(5-3-14)19(27)28-13-25-17-16(10-22-25)18(26)21-12-20-17/h2-5,10,12H,6-9,11,13H2,1H3,(H,20,21,26).
What are the key properties of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate?
(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate has a molecular weight of 382.42 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate is sourced from PubChem (CID 135789958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).