6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C19H23N7O — CID 126923552

IUPAC6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nc(N2CCCC2Cn2nc(C3CC3)ccc2=O)c2cnn(C)c2n1
InChIInChI=1S/C19H23N7O/c1-12-21-18-15(10-20-24(18)2)19(22-12)25-9-3-4-14(25)11-26-17(27)8-7-16(23-26)13-5-6-13/h7-8,10,13-14H,3-6,9,11H2,1-2H3
InChIKeyXCUUHFDIPWLTCV-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.77
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923552) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923552
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nc(N2CCCC2Cn2nc(C3CC3)ccc2=O)c2cnn(C)c2n1
InChIInChI=1S/C19H23N7O/c1-12-21-18-15(10-20-24(18)2)19(22-12)25-9-3-4-14(25)11-26-17(27)8-7-16(23-26)13-5-6-13/h7-8,10,13-14H,3-6,9,11H2,1-2H3
InChIKeyXCUUHFDIPWLTCV-UHFFFAOYSA-N
XLogP1.77
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925768
4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136525360
6-cyclopropyl-2-[[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923719
6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923570
6-cyclopropyl-2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923703
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
2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923501
1,6-dimethyl-4-(2-phenylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816112
1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94521504
6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923483
6-cyclopropyl-2-[[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923706
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 142498248

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923552) is 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1nc(N2CCCC2Cn2nc(C3CC3)ccc2=O)c2cnn(C)c2n1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is XCUUHFDIPWLTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-12-21-18-15(10-20-24(18)2)19(22-12)25-9-3-4-14(25)11-26-17(27)8-7-16(23-26)13-5-6-13/h7-8,10,13-14H,3-6,9,11H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 365.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).