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

C19H28N6O — CID 143540872

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESC=N/C=C/n1cc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C19H28N6O/c1-20-6-8-25-14-16-13-22(7-5-18(16)21-25)15-19(26)24-11-9-23(10-12-24)17-3-2-4-17/h6,8,14,17H,1-5,7,9-13,15H2/b8-6+
InChIKeyOHPCZWQJTCLHJQ-SOFGYWHQSA-N
MW356.47 g/mol
LogP1.07
Rot. Bonds5

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

1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 143540872) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID143540872
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESC=N/C=C/n1cc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C19H28N6O/c1-20-6-8-25-14-16-13-22(7-5-18(16)21-25)15-19(26)24-11-9-23(10-12-24)17-3-2-4-17/h6,8,14,17H,1-5,7,9-13,15H2/b8-6+
InChIKeyOHPCZWQJTCLHJQ-SOFGYWHQSA-N
XLogP1.07
TPSA56.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 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) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is C=N/C=C/n1cc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is OHPCZWQJTCLHJQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H28N6O/c1-20-6-8-25-14-16-13-22(7-5-18(16)21-25)15-19(26)24-11-9-23(10-12-24)17-3-2-4-17/h6,8,14,17H,1-5,7,9-13,15H2/b8-6+.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(E)-2-(methylideneamino)ethenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 143540872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).