N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine

C25H28N4 — CID 10068613

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3C4)CC2)cc1
InChIInChI=1S/C25H28N4/c1-2-6-20(7-3-1)18-29-14-11-19(12-15-29)10-13-26-24-17-22-16-21-8-4-5-9-23(21)25(22)28-27-24/h1-9,17,19H,10-16,18H2,(H,26,27)
InChIKeyINIMHDIZIDCHML-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.76
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine

N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine (PubChem CID 10068613) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine
PubChem CID10068613
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3C4)CC2)cc1
InChIInChI=1S/C25H28N4/c1-2-6-20(7-3-1)18-29-14-11-19(12-15-29)10-13-26-24-17-22-16-21-8-4-5-9-23(21)25(22)28-27-24/h1-9,17,19H,10-16,18H2,(H,26,27)
InChIKeyINIMHDIZIDCHML-UHFFFAOYSA-N
XLogP4.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine (CID 10068613) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine is c1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3C4)CC2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine?
The InChIKey is INIMHDIZIDCHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/c1-2-6-20(7-3-1)18-29-14-11-19(12-15-29)10-13-26-24-17-22-16-21-8-4-5-9-23(21)25(22)28-27-24/h1-9,17,19H,10-16,18H2,(H,26,27).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine has a molecular weight of 384.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5H-indeno[1,2-c]pyridazin-3-amine is sourced from PubChem (CID 10068613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).