5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride

C17H19Cl3N6O — CID 154606726

IUPAC5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
SMILESCl.O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2cnn(CC3CCNC3)c12
InChIInChI=1S/C17H18Cl2N6O.ClH/c18-12-2-1-10(5-13(12)19)7-21-17-23-14-8-22-25(15(14)16(26)24-17)9-11-3-4-20-6-11;/h1-2,5,8,11,20H,3-4,6-7,9H2,(H2,21,23,24,26);1H
InChIKeyMLCDVFZZPPXGHU-UHFFFAOYSA-N
MW429.74 g/mol
LogP3.07
Rot. Bonds5

About 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride

5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride (PubChem CID 154606726) has the molecular formula C17H19Cl3N6O and a molecular weight of 429.74 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
PubChem CID154606726
Molecular FormulaC17H19Cl3N6O
Molecular Weight429.74 g/mol
Exact Mass428.07
IUPAC Name5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
SMILESCl.O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2cnn(CC3CCNC3)c12
InChIInChI=1S/C17H18Cl2N6O.ClH/c18-12-2-1-10(5-13(12)19)7-21-17-23-14-8-22-25(15(14)16(26)24-17)9-11-3-4-20-6-11;/h1-2,5,8,11,20H,3-4,6-7,9H2,(H2,21,23,24,26);1H
InChIKeyMLCDVFZZPPXGHU-UHFFFAOYSA-N
XLogP3.07
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.74
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-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

Related Compounds

5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-2-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606858
1-[(1-acetylpyrrolidin-3-yl)methyl]-5-[(3,4-dichlorophenyl)methylamino]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606841
5-[(3,4-dichlorophenyl)methylamino]-1-(2-piperazin-1-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606905
1-benzyl-5-[(3,4-dichlorophenyl)methylamino]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606667
5-[(3,4-dichlorophenyl)methylamino]-1-[(2-piperidin-3-yl-1,3-oxazol-4-yl)methyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606762
5-[(3,4-dichlorophenyl)methylamino]-1-[2-(2-piperazin-1-ylethoxy)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;dihydrochloride
CID 162315574
5-[(3,4-dichlorophenyl)methylamino]-1-[2-(iodoamino)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 155014392
4-[[5-[(3,4-dichlorophenyl)methylamino]-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]piperidine-4-carboxylic acid
CID 150031277
5-[(3,4-dichlorophenyl)methylamino]-1-[(1-pyridin-2-ylpyrrolidin-2-yl)methyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606810
2-[2-[5-[(3,4-dichlorophenyl)methylamino]-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl]ethyl]guanidine;hydrochloride
CID 154606717
tert-butyl 2-[[5-[(3,4-dichlorophenyl)methylamino]-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 154606911
5-[(3,4-dichlorophenyl)methylamino]-1-(1,3-dihydroxypropan-2-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 150408456

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?
The IUPAC name of 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride (CID 154606726) is 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride is Cl.O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2cnn(CC3CCNC3)c12.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?
The InChIKey is MLCDVFZZPPXGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N6O.ClH/c18-12-2-1-10(5-13(12)19)7-21-17-23-14-8-22-25(15(14)16(26)24-17)9-11-3-4-20-6-11;/h1-2,5,8,11,20H,3-4,6-7,9H2,(H2,21,23,24,26);1H.
What are the key properties of 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?
5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride has a molecular weight of 429.74 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-3-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 154606726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).