6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one

C20H25N7O2 — CID 126935236

IUPAC6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(C)c(NC3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2n1
InChIInChI=1S/C20H25N7O2/c1-25-11-15-18(24-25)22-20(26(2)19(15)29)21-13-5-7-14(8-6-13)27-17(28)10-9-16(23-27)12-3-4-12/h9-14H,3-8H2,1-2H3,(H,21,22,24)
InChIKeyHYRMHZGJSDTLAX-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.70
Rot. Bonds4

About 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one

6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 126935236) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
PubChem CID126935236
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(C)c(NC3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2n1
InChIInChI=1S/C20H25N7O2/c1-25-11-15-18(24-25)22-20(26(2)19(15)29)21-13-5-7-14(8-6-13)27-17(28)10-9-16(23-27)12-3-4-12/h9-14H,3-8H2,1-2H3,(H,21,22,24)
InChIKeyHYRMHZGJSDTLAX-UHFFFAOYSA-N
XLogP1.70
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-cyclopropyl-2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935075
6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935165
3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one
CID 126934890
6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935074
2-cyclobutyl-6-cyclopropylpyridazin-3-one
CID 126857338
3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one
CID 126934525
6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126935103
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126935035
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2-(1H-indol-3-yl)acetamide
CID 126934959
2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934530
2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one
CID 92549020

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one (CID 126935236) is 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one is Cn1cc2c(=O)n(C)c(NC3CCC(n4nc(C5CC5)ccc4=O)CC3)nc2n1.
What is the InChIKey of 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is HYRMHZGJSDTLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-25-11-15-18(24-25)22-20(26(2)19(15)29)21-13-5-7-14(8-6-13)27-17(28)10-9-16(23-27)12-3-4-12/h9-14H,3-8H2,1-2H3,(H,21,22,24).
What are the key properties of 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 395.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126935236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).