6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one

C20H25N7O2 — CID 126941950

IUPAC6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc2c(cnn2C)c1=O
InChIInChI=1S/C20H25N7O2/c1-24-19(29)15-10-22-25(2)18(15)23-20(24)26-7-5-13(6-8-26)11-27-12-21-16(9-17(27)28)14-3-4-14/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyHOJROYPGALSZAQ-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.02
Rot. Bonds4

About 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one

6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 126941950) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID126941950
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc2c(cnn2C)c1=O
InChIInChI=1S/C20H25N7O2/c1-24-19(29)15-10-22-25(2)18(15)23-20(24)26-7-5-13(6-8-26)11-27-12-21-16(9-17(27)28)14-3-4-14/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyHOJROYPGALSZAQ-UHFFFAOYSA-N
XLogP1.02
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1,5-dimethyl-6-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
CID 126942431
6-cyclopropyl-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941716
6-cyclopropyl-3-[[1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941906
6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941650
6-cyclopropyl-3-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941642
6-cyclopropyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941646
3-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943506
6-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126944676
6-cyclopropyl-3-[[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941809
2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126944196
6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126941964
6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941774

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one (CID 126941950) is 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one is Cn1c(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)nc2c(cnn2C)c1=O.
What is the InChIKey of 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HOJROYPGALSZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-24-19(29)15-10-22-25(2)18(15)23-20(24)26-7-5-13(6-8-26)11-27-12-21-16(9-17(27)28)14-3-4-14/h9-10,12-14H,3-8,11H2,1-2H3.
What are the key properties of 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 395.47 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 126941950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).