N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide

C20H17N3O2S — CID 134792332

IUPACN-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cccs3)c3cccn3n2)c1
InChIInChI=1S/C20H17N3O2S/c1-25-15-6-2-5-14(11-15)13-21-20(24)17-12-16(19-8-4-10-26-19)18-7-3-9-23(18)22-17/h2-12H,13H2,1H3,(H,21,24)
InChIKeyKIQSRCQWJDLDLK-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.00
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide (PubChem CID 134792332) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide
PubChem CID134792332
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cccs3)c3cccn3n2)c1
InChIInChI=1S/C20H17N3O2S/c1-25-15-6-2-5-14(11-15)13-21-20(24)17-12-16(19-8-4-10-26-19)18-7-3-9-23(18)22-17/h2-12H,13H2,1H3,(H,21,24)
InChIKeyKIQSRCQWJDLDLK-UHFFFAOYSA-N
XLogP4.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide 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

N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076808
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
7-hydroxy-N-[(3-methoxyphenyl)methyl]-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733597
2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795965
N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide
CID 59652368
1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 110373177
N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999191
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide (CID 134792332) is N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide is COc1cccc(CNC(=O)c2cc(-c3cccs3)c3cccn3n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is KIQSRCQWJDLDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-25-15-6-2-5-14(11-15)13-21-20(24)17-12-16(19-8-4-10-26-19)18-7-3-9-23(18)22-17/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 134792332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).