2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

C22H18N6O — CID 121036769

IUPAC2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCc1nnc2ccc(-c3ccc(NC(=O)Cc4c[nH]c5ccccc45)cc3)nn12
InChIInChI=1S/C22H18N6O/c1-14-25-26-21-11-10-19(27-28(14)21)15-6-8-17(9-7-15)24-22(29)12-16-13-23-20-5-3-2-4-18(16)20/h2-11,13,23H,12H2,1H3,(H,24,29)
InChIKeySIRKIEJFCRUYFO-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.76
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 121036769) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID121036769
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCc1nnc2ccc(-c3ccc(NC(=O)Cc4c[nH]c5ccccc45)cc3)nn12
InChIInChI=1S/C22H18N6O/c1-14-25-26-21-11-10-19(27-28(14)21)15-6-8-17(9-7-15)24-22(29)12-16-13-23-20-5-3-2-4-18(16)20/h2-11,13,23H,12H2,1H3,(H,24,29)
InChIKeySIRKIEJFCRUYFO-UHFFFAOYSA-N
XLogP3.76
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036451
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
CID 7532341
2-(1H-indol-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8533766
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-indole-3-carboxamide
CID 121036947
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
CID 7532386
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026972
2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide
CID 95785414
4-tert-butyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532390
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532509

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 121036769) is 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is Cc1nnc2ccc(-c3ccc(NC(=O)Cc4c[nH]c5ccccc45)cc3)nn12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is SIRKIEJFCRUYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-14-25-26-21-11-10-19(27-28(14)21)15-6-8-17(9-7-15)24-22(29)12-16-13-23-20-5-3-2-4-18(16)20/h2-11,13,23H,12H2,1H3,(H,24,29).
What are the key properties of 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 382.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 121036769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).