2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid

C17H11ClN4O2S — CID 123271272

IUPAC2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
SMILESO=C(O)c1nnc(Nc2cc[nH]c2)c2cc(-c3cccc(Cl)c3)sc12
InChIInChI=1S/C17H11ClN4O2S/c18-10-3-1-2-9(6-10)13-7-12-15(25-13)14(17(23)24)21-22-16(12)20-11-4-5-19-8-11/h1-8,19H,(H,20,22)(H,23,24)
InChIKeyUHGHRCDFDIWWNO-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.78
Rot. Bonds4

About 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid

2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid (PubChem CID 123271272) has the molecular formula C17H11ClN4O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
PubChem CID123271272
Molecular FormulaC17H11ClN4O2S
Molecular Weight370.82 g/mol
Exact Mass370.03
IUPAC Name2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
SMILESO=C(O)c1nnc(Nc2cc[nH]c2)c2cc(-c3cccc(Cl)c3)sc12
InChIInChI=1S/C17H11ClN4O2S/c18-10-3-1-2-9(6-10)13-7-12-15(25-13)14(17(23)24)21-22-16(12)20-11-4-5-19-8-11/h1-8,19H,(H,20,22)(H,23,24)
InChIKeyUHGHRCDFDIWWNO-UHFFFAOYSA-N
XLogP4.78
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034772
2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033655
2-(3-chlorophenyl)-4-(pyrrolidin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123865301
2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123706135
2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide
CID 51034977
2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 67053867
2-(3-chlorophenyl)-N,N-dimethyl-4-(6H-1,3-oxathiin-2-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033772
5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 53271192
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
4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
CID 140987852
5-(3-chlorophenyl)-1-methyltriazole-4-carboxylic acid
CID 82207586

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid (CID 123271272) is 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid is O=C(O)c1nnc(Nc2cc[nH]c2)c2cc(-c3cccc(Cl)c3)sc12.
What is the InChIKey of 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
The InChIKey is UHGHRCDFDIWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S/c18-10-3-1-2-9(6-10)13-7-12-15(25-13)14(17(23)24)21-22-16(12)20-11-4-5-19-8-11/h1-8,19H,(H,20,22)(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid has a molecular weight of 370.82 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid is sourced from PubChem (CID 123271272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).