6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

C22H24N6O — CID 121224994

IUPAC6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCOc1ccc2ccn(C3CCN(c4ccc(-c5cnn(C)c5)nn4)CC3)c2c1
InChIInChI=1S/C22H24N6O/c1-26-15-17(14-23-26)20-5-6-22(25-24-20)27-10-8-18(9-11-27)28-12-7-16-3-4-19(29-2)13-21(16)28/h3-7,12-15,18H,8-11H2,1-2H3
InChIKeyKTXDDPZEJKRBQG-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.68
Rot. Bonds4

About 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (PubChem CID 121224994) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.

Molecular Properties

Compound Name6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
PubChem CID121224994
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCOc1ccc2ccn(C3CCN(c4ccc(-c5cnn(C)c5)nn4)CC3)c2c1
InChIInChI=1S/C22H24N6O/c1-26-15-17(14-23-26)20-5-6-22(25-24-20)27-10-8-18(9-11-27)28-12-7-16-3-4-19(29-2)13-21(16)28/h3-7,12-15,18H,8-11H2,1-2H3
InChIKeyKTXDDPZEJKRBQG-UHFFFAOYSA-N
XLogP3.68
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole 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 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The IUPAC name of 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (CID 121224994) is 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.
What is the SMILES notation for 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The canonical SMILES for 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is COc1ccc2ccn(C3CCN(c4ccc(-c5cnn(C)c5)nn4)CC3)c2c1.
What is the InChIKey of 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The InChIKey is KTXDDPZEJKRBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-26-15-17(14-23-26)20-5-6-22(25-24-20)27-10-8-18(9-11-27)28-12-7-16-3-4-19(29-2)13-21(16)28/h3-7,12-15,18H,8-11H2,1-2H3.
What are the key properties of 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole has a molecular weight of 388.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is sourced from PubChem (CID 121224994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).