4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide

C20H16N4O — CID 150659794

IUPAC4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccc(-c3cccnc3)cc2)c2cccn2n1
InChIInChI=1S/C20H16N4O/c21-20(25)18-12-17(19-4-2-10-24(19)23-18)11-14-5-7-15(8-6-14)16-3-1-9-22-13-16/h1-10,12-13H,11H2,(H2,21,25)
InChIKeyJDQLLWBEXTWEPE-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.09
Rot. Bonds4

About 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide

4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide (PubChem CID 150659794) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
PubChem CID150659794
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccc(-c3cccnc3)cc2)c2cccn2n1
InChIInChI=1S/C20H16N4O/c21-20(25)18-12-17(19-4-2-10-24(19)23-18)11-14-5-7-15(8-6-14)16-3-1-9-22-13-16/h1-10,12-13H,11H2,(H2,21,25)
InChIKeyJDQLLWBEXTWEPE-UHFFFAOYSA-N
XLogP3.09
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[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

ethyl 4-[[4-(2-chloro-4-pyridinyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxylate
CID 146552076
2-(3-carbamoyl-5-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 135318152
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid
CID 58306802
N-methyl-3-(4-pyridin-3-ylphenyl)propanamide
CID 58452186
3-azulen-6-ylpyridine
CID 86232079
1,3-dipyridin-3-ylindazole-5-carboxamide
CID 174835120
2-phenyl-2-[(4-pyridin-3-ylphenyl)methylamino]acetamide
CID 75374761
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide (CID 150659794) is 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide is NC(=O)c1cc(Cc2ccc(-c3cccnc3)cc2)c2cccn2n1.
What is the InChIKey of 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is JDQLLWBEXTWEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-20(25)18-12-17(19-4-2-10-24(19)23-18)11-14-5-7-15(8-6-14)16-3-1-9-22-13-16/h1-10,12-13H,11H2,(H2,21,25).
What are the key properties of 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide?
4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 150659794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).