2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone

C23H26N6O — CID 56764766

IUPAC2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)N4CCc5ccccc54)CC3)nn2)n1
InChIInChI=1S/C23H26N6O/c1-16-15-17(2)29(26-16)22-8-7-21(24-25-22)27-12-9-19(10-13-27)23(30)28-14-11-18-5-3-4-6-20(18)28/h3-8,15,19H,9-14H2,1-2H3
InChIKeyJXLPTLXNYHFACR-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.08
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone (PubChem CID 56764766) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
PubChem CID56764766
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)N4CCc5ccccc54)CC3)nn2)n1
InChIInChI=1S/C23H26N6O/c1-16-15-17(2)29(26-16)22-8-7-21(24-25-22)27-12-9-19(10-13-27)23(30)28-14-11-18-5-3-4-6-20(18)28/h3-8,15,19H,9-14H2,1-2H3
InChIKeyJXLPTLXNYHFACR-UHFFFAOYSA-N
XLogP3.08
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone 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 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone (CID 56764766) is 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone is Cc1cc(C)n(-c2ccc(N3CCC(C(=O)N4CCc5ccccc54)CC3)nn2)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
The InChIKey is JXLPTLXNYHFACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-16-15-17(2)29(26-16)22-8-7-21(24-25-22)27-12-9-19(10-13-27)23(30)28-14-11-18-5-3-4-6-20(18)28/h3-8,15,19H,9-14H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone has a molecular weight of 402.50 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 56764766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).