6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one

C23H28N4O — CID 169082845

IUPAC6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCCCCN(Cc1ccccc1)C1CCc2c([nH]n(-c3ccccn3)c2=O)C1
InChIInChI=1S/C23H28N4O/c1-2-3-15-26(17-18-9-5-4-6-10-18)19-12-13-20-21(16-19)25-27(23(20)28)22-11-7-8-14-24-22/h4-11,14,19,25H,2-3,12-13,15-17H2,1H3
InChIKeyFTNZNBMVGJZGTG-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.72
Rot. Bonds7

About 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one

6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 169082845) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID169082845
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCCCCN(Cc1ccccc1)C1CCc2c([nH]n(-c3ccccn3)c2=O)C1
InChIInChI=1S/C23H28N4O/c1-2-3-15-26(17-18-9-5-4-6-10-18)19-12-13-20-21(16-19)25-27(23(20)28)22-11-7-8-14-24-22/h4-11,14,19,25H,2-3,12-13,15-17H2,1H3
InChIKeyFTNZNBMVGJZGTG-UHFFFAOYSA-N
XLogP3.72
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 169082845) is 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one is CCCCN(Cc1ccccc1)C1CCc2c([nH]n(-c3ccccn3)c2=O)C1.
What is the InChIKey of 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is FTNZNBMVGJZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-3-15-26(17-18-9-5-4-6-10-18)19-12-13-20-21(16-19)25-27(23(20)28)22-11-7-8-14-24-22/h4-11,14,19,25H,2-3,12-13,15-17H2,1H3.
What are the key properties of 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one?
6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 376.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(butyl)amino]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 169082845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).