2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

C24H36N8O — CID 143540754

IUPAC2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCCCCNc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nn1
InChIInChI=1S/C24H36N8O/c1-2-3-10-25-22-7-8-23(27-26-22)32-17-19-16-29(11-9-21(19)28-32)18-24(33)31-14-12-30(13-15-31)20-5-4-6-20/h7-8,17,20H,2-6,9-16,18H2,1H3,(H,25,26)
InChIKeyMHRPCGXRKVTJQP-UHFFFAOYSA-N
MW452.61 g/mol
LogP1.93
Rot. Bonds8

About 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (PubChem CID 143540754) has the molecular formula C24H36N8O and a molecular weight of 452.61 g/mol. Its IUPAC name is 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
PubChem CID143540754
Molecular FormulaC24H36N8O
Molecular Weight452.61 g/mol
Exact Mass452.30
IUPAC Name2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCCCCNc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nn1
InChIInChI=1S/C24H36N8O/c1-2-3-10-25-22-7-8-23(27-26-22)32-17-19-16-29(11-9-21(19)28-32)18-24(33)31-14-12-30(13-15-31)20-5-4-6-20/h7-8,17,20H,2-6,9-16,18H2,1H3,(H,25,26)
InChIKeyMHRPCGXRKVTJQP-UHFFFAOYSA-N
XLogP1.93
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 57420700
2-[2-(6-chloropyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420701
6-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pyridazine-3-carbonitrile
CID 59463666
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 59463557
2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420752
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2-propoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57421110
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(pentan-2-ylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57421098
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl(methyl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57420733
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 143540872
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 57462232
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
2-[6-(4-butylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420912

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (CID 143540754) is 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is CCCCNc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nn1.
What is the InChIKey of 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The InChIKey is MHRPCGXRKVTJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N8O/c1-2-3-10-25-22-7-8-23(27-26-22)32-17-19-16-29(11-9-21(19)28-32)18-24(33)31-14-12-30(13-15-31)20-5-4-6-20/h7-8,17,20H,2-6,9-16,18H2,1H3,(H,25,26).
What are the key properties of 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone has a molecular weight of 452.61 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(butylamino)pyridazin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is sourced from PubChem (CID 143540754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).