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

C21H29N7O — CID 57420700

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nn1
InChIInChI=1S/C21H29N7O/c1-16-5-6-20(23-22-16)28-14-17-13-25(8-7-19(17)24-28)15-21(29)27-11-9-26(10-12-27)18-3-2-4-18/h5-6,14,18H,2-4,7-13,15H2,1H3
InChIKeyFAXULGBPKDOOKM-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.03
Rot. Bonds4

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

1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 57420700) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID57420700
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nn1
InChIInChI=1S/C21H29N7O/c1-16-5-6-20(23-22-16)28-14-17-13-25(8-7-19(17)24-28)15-21(29)27-11-9-26(10-12-27)18-3-2-4-18/h5-6,14,18H,2-4,7-13,15H2,1H3
InChIKeyFAXULGBPKDOOKM-UHFFFAOYSA-N
XLogP1.03
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 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) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-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-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is Cc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nn1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is FAXULGBPKDOOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-16-5-6-20(23-22-16)28-14-17-13-25(8-7-19(17)24-28)15-21(29)27-11-9-26(10-12-27)18-3-2-4-18/h5-6,14,18H,2-4,7-13,15H2,1H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 395.51 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 57420700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).