3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one

C17H21N7O — CID 126930427

IUPAC3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc2c(NCC3CCCCN3c3ccc(=O)[nH]n3)nccn2n1
InChIInChI=1S/C17H21N7O/c1-12-10-14-17(18-7-9-24(14)22-12)19-11-13-4-2-3-8-23(13)15-5-6-16(25)21-20-15/h5-7,9-10,13H,2-4,8,11H2,1H3,(H,18,19)(H,21,25)
InChIKeyRDTKSHIVSMWPFE-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.59
Rot. Bonds4

About 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one

3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 126930427) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID126930427
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc2c(NCC3CCCCN3c3ccc(=O)[nH]n3)nccn2n1
InChIInChI=1S/C17H21N7O/c1-12-10-14-17(18-7-9-24(14)22-12)19-11-13-4-2-3-8-23(13)15-5-6-16(25)21-20-15/h5-7,9-10,13H,2-4,8,11H2,1H3,(H,18,19)(H,21,25)
InChIKeyRDTKSHIVSMWPFE-UHFFFAOYSA-N
XLogP1.59
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

6-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931111
6-[2-[[(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931232
3-[2-[[(6-cyclopropylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930428
3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930439
3-[2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930534
3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930486
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126930570
3-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930411
2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930745
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one
CID 126930558
3-[2-[[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930523
N-[(4-aminocyclohexyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106128757

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one (CID 126930427) is 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one is Cc1cc2c(NCC3CCCCN3c3ccc(=O)[nH]n3)nccn2n1.
What is the InChIKey of 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is RDTKSHIVSMWPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-10-14-17(18-7-9-24(14)22-12)19-11-13-4-2-3-8-23(13)15-5-6-16(25)21-20-15/h5-7,9-10,13H,2-4,8,11H2,1H3,(H,18,19)(H,21,25).
What are the key properties of 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 339.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 126930427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).