6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one

C22H28N6O — CID 126931157

IUPAC6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
SMILESCc1nnc(NCC2CCCCN2c2ccc(=O)n(C(C)C)n2)c2ccccc12
InChIInChI=1S/C22H28N6O/c1-15(2)28-21(29)12-11-20(26-28)27-13-7-6-8-17(27)14-23-22-19-10-5-4-9-18(19)16(3)24-25-22/h4-5,9-12,15,17H,6-8,13-14H2,1-3H3,(H,23,25)
InChIKeyPVCCYSZFAOQALQ-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.55
Rot. Bonds5

About 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one

6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one (PubChem CID 126931157) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
PubChem CID126931157
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
SMILESCc1nnc(NCC2CCCCN2c2ccc(=O)n(C(C)C)n2)c2ccccc12
InChIInChI=1S/C22H28N6O/c1-15(2)28-21(29)12-11-20(26-28)27-13-7-6-8-17(27)14-23-22-19-10-5-4-9-18(19)16(3)24-25-22/h4-5,9-12,15,17H,6-8,13-14H2,1-3H3,(H,23,25)
InChIKeyPVCCYSZFAOQALQ-UHFFFAOYSA-N
XLogP3.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one with MolForge

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Related Compounds

6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931106
2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931091
6-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931111
2-propan-2-yl-6-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931249
2-propan-2-yl-6-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931158
2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930745
6-[2-[[(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931232
6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931127
6-[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931098
2-propan-2-yl-6-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931096
6-[2-[[(2-methylpyrazol-3-yl)methylamino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931168
1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide
CID 126931038

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one (CID 126931157) is 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one is Cc1nnc(NCC2CCCCN2c2ccc(=O)n(C(C)C)n2)c2ccccc12.
What is the InChIKey of 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is PVCCYSZFAOQALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(2)28-21(29)12-11-20(26-28)27-13-7-6-8-17(27)14-23-22-19-10-5-4-9-18(19)16(3)24-25-22/h4-5,9-12,15,17H,6-8,13-14H2,1-3H3,(H,23,25).
What are the key properties of 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 392.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 126931157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).