1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one

C21H22N8O2 — CID 126925970

IUPAC1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)nc2c(cnn2C)c1=O
InChIInChI=1S/C21H22N8O2/c1-26-20(31)16-12-23-27(2)19(16)24-21(26)28-10-4-6-15(28)13-29-18(30)8-7-17(25-29)14-5-3-9-22-11-14/h3,5,7-9,11-12,15H,4,6,10,13H2,1-2H3
InChIKeyKDTOXQXLISBWKE-UHFFFAOYSA-N
MW418.46 g/mol
LogP0.95
Rot. Bonds4

About 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one

1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 126925970) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID126925970
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)nc2c(cnn2C)c1=O
InChIInChI=1S/C21H22N8O2/c1-26-20(31)16-12-23-27(2)19(16)24-21(26)28-10-4-6-15(28)13-29-18(30)8-7-17(25-29)14-5-3-9-22-11-14/h3,5,7-9,11-12,15H,4,6,10,13H2,1-2H3
InChIKeyKDTOXQXLISBWKE-UHFFFAOYSA-N
XLogP0.95
TPSA103.73 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-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

3-methyl-2-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126925989
2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925768
2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925964
2-[[1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925926
6-pyridin-3-yl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126925767
2-[[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925948
2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925991
2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925916
3-methyl-2-[3-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126929579
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925868
2-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126925944
6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923552

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one (CID 126925970) is 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one is Cn1c(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)nc2c(cnn2C)c1=O.
What is the InChIKey of 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KDTOXQXLISBWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-26-20(31)16-12-23-27(2)19(16)24-21(26)28-10-4-6-15(28)13-29-18(30)8-7-17(25-29)14-5-3-9-22-11-14/h3,5,7-9,11-12,15H,4,6,10,13H2,1-2H3.
What are the key properties of 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one?
1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 418.46 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 126925970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).