5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one

C19H16Cl2N6O — CID 154606890

IUPAC5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2cnn(CCc3cccnc3)c12
InChIInChI=1S/C19H16Cl2N6O/c20-14-4-3-13(8-15(14)21)10-23-19-25-16-11-24-27(17(16)18(28)26-19)7-5-12-2-1-6-22-9-12/h1-4,6,8-9,11H,5,7,10H2,(H2,23,25,26,28)
InChIKeyDTMJTZJESQVIDL-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.68
Rot. Bonds6

About 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 154606890) has the molecular formula C19H16Cl2N6O and a molecular weight of 415.28 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID154606890
Molecular FormulaC19H16Cl2N6O
Molecular Weight415.28 g/mol
Exact Mass414.08
IUPAC Name5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2cnn(CCc3cccnc3)c12
InChIInChI=1S/C19H16Cl2N6O/c20-14-4-3-13(8-15(14)21)10-23-19-25-16-11-24-27(17(16)18(28)26-19)7-5-12-2-1-6-22-9-12/h1-4,6,8-9,11H,5,7,10H2,(H2,23,25,26,28)
InChIKeyDTMJTZJESQVIDL-UHFFFAOYSA-N
XLogP3.68
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one 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

1-benzyl-5-[(3,4-dichlorophenyl)methylamino]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606667
5-[(3,4-dichlorophenyl)methylamino]-1-(2-piperazin-1-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606905
1-[2-(2-aminoethoxy)ethyl]-5-[(3,4-dichlorophenyl)methylamino]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
CID 154606593
1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606829
methyl 2-[2-[5-[(3,4-dichlorophenyl)methylamino]-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl]ethoxy]acetate
CID 154606635
5-[(3,4-dichlorophenyl)methylamino]-1-[2-(2-methylsulfonylethoxy)ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606873
5-[(3,4-dichlorophenyl)methylamino]-1-(1,3-dihydroxypropan-2-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 150408456
5-[(3,4-dichlorophenyl)methylamino]-1-propan-2-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 151925371
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-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 152695556
5-[(3,4-dichlorophenyl)methylamino]-1-(pyrrolidin-2-ylmethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606858
5-[(3,4-dichlorophenyl)methylamino]-1-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606647

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 154606890) is 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2cnn(CCc3cccnc3)c12.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is DTMJTZJESQVIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6O/c20-14-4-3-13(8-15(14)21)10-23-19-25-16-11-24-27(17(16)18(28)26-19)7-5-12-2-1-6-22-9-12/h1-4,6,8-9,11H,5,7,10H2,(H2,23,25,26,28).
What are the key properties of 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 415.28 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 154606890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).