2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid

C17H15ClN4O2S — CID 123865301

IUPAC2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
SMILESO=C(O)c1nnc(NC2CCCN2)c2cc(-c3cccc(Cl)c3)sc12
InChIInChI=1S/C17H15ClN4O2S/c18-10-4-1-3-9(7-10)12-8-11-15(25-12)14(17(23)24)21-22-16(11)20-13-5-2-6-19-13/h1,3-4,7-8,13,19H,2,5-6H2,(H,20,22)(H,23,24)
InChIKeyQCZFQUWAUSOADS-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.83
Rot. Bonds4

About 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid

2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid (PubChem CID 123865301) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
PubChem CID123865301
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
SMILESO=C(O)c1nnc(NC2CCCN2)c2cc(-c3cccc(Cl)c3)sc12
InChIInChI=1S/C17H15ClN4O2S/c18-10-4-1-3-9(7-10)12-8-11-15(25-12)14(17(23)24)21-22-16(11)20-13-5-2-6-19-13/h1,3-4,7-8,13,19H,2,5-6H2,(H,20,22)(H,23,24)
InChIKeyQCZFQUWAUSOADS-UHFFFAOYSA-N
XLogP3.83
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123271272
2-(3-chlorophenyl)-N,N-dimethyl-4-(6H-1,3-oxathiin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033772
2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033655
2-(4-chlorophenyl)-4-[[(3R)-pyrrolidin-3-yl]amino]thieno[2,3-d]pyridazine-7-carboxamide
CID 67053835
2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxylic acid
CID 167353373
2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide
CID 122662388
2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine
CID 143836312
2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52943706
2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034772
2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide
CID 51034977
5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 120574779
5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 53271192

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid (CID 123865301) is 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid is O=C(O)c1nnc(NC2CCCN2)c2cc(-c3cccc(Cl)c3)sc12.
What is the InChIKey of 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
The InChIKey is QCZFQUWAUSOADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c18-10-4-1-3-9(7-10)12-8-11-15(25-12)14(17(23)24)21-22-16(11)20-13-5-2-6-19-13/h1,3-4,7-8,13,19H,2,5-6H2,(H,20,22)(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid has a molecular weight of 374.85 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid is sourced from PubChem (CID 123865301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).