5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol

C23H30N4O — CID 170442079

IUPAC5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(NC2CCCN(C3CCC3)C2)nnc1-c1ccc2c(c1O)CCC2
InChIInChI=1S/C23H30N4O/c1-15-13-21(24-17-6-4-12-27(14-17)18-7-3-8-18)25-26-22(15)20-11-10-16-5-2-9-19(16)23(20)28/h10-11,13,17-18,28H,2-9,12,14H2,1H3,(H,24,25)
InChIKeyHPTGBVMLGNQIRJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.08
Rot. Bonds4

About 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol

5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol (PubChem CID 170442079) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
PubChem CID170442079
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(NC2CCCN(C3CCC3)C2)nnc1-c1ccc2c(c1O)CCC2
InChIInChI=1S/C23H30N4O/c1-15-13-21(24-17-6-4-12-27(14-17)18-7-3-8-18)25-26-22(15)20-11-10-16-5-2-9-19(16)23(20)28/h10-11,13,17-18,28H,2-9,12,14H2,1H3,(H,24,25)
InChIKeyHPTGBVMLGNQIRJ-UHFFFAOYSA-N
XLogP4.08
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol (CID 170442079) is 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol is Cc1cc(NC2CCCN(C3CCC3)C2)nnc1-c1ccc2c(c1O)CCC2.
What is the InChIKey of 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is HPTGBVMLGNQIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-15-13-21(24-17-6-4-12-27(14-17)18-7-3-8-18)25-26-22(15)20-11-10-16-5-2-9-19(16)23(20)28/h10-11,13,17-18,28H,2-9,12,14H2,1H3,(H,24,25).
What are the key properties of 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 378.52 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 170442079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).