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

C17H10BrN3O3S — CID 123706135

IUPAC2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
SMILESO=C(O)c1nnc(Nc2ccoc2)c2cc(-c3ccc(Br)cc3)sc12
InChIInChI=1S/C17H10BrN3O3S/c18-10-3-1-9(2-4-10)13-7-12-15(25-13)14(17(22)23)20-21-16(12)19-11-5-6-24-8-11/h1-8H,(H,19,21)(H,22,23)
InChIKeyAKBYCJSRLWEERP-UHFFFAOYSA-N
MW416.26 g/mol
LogP5.16
Rot. Bonds4

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

2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid (PubChem CID 123706135) has the molecular formula C17H10BrN3O3S and a molecular weight of 416.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
PubChem CID123706135
Molecular FormulaC17H10BrN3O3S
Molecular Weight416.26 g/mol
Exact Mass414.96
IUPAC Name2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
SMILESO=C(O)c1nnc(Nc2ccoc2)c2cc(-c3ccc(Br)cc3)sc12
InChIInChI=1S/C17H10BrN3O3S/c18-10-3-1-9(2-4-10)13-7-12-15(25-13)14(17(22)23)20-21-16(12)19-11-5-6-24-8-11/h1-8H,(H,19,21)(H,22,23)
InChIKeyAKBYCJSRLWEERP-UHFFFAOYSA-N
XLogP5.16
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.26
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide
CID 51034977
2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033655
2-(3-chlorophenyl)-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid
CID 123271272
2-(4-chlorophenyl)-4-[[(3R)-pyrrolidin-3-yl]amino]thieno[2,3-d]pyridazine-7-carboxamide
CID 67053835
tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)
CID 157054843
2-[6-(4-bromophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetate
CID 7129590
3-[[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]benzamide
CID 67548968
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
4-[[4-(3-bromoanilino)phthalazin-1-yl]methyl]pyridine-2-carboxylic acid
CID 22397284
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102185
N-(4-bromophenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55412333
4-(4-bromoanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28856079

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid (CID 123706135) is 2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid is O=C(O)c1nnc(Nc2ccoc2)c2cc(-c3ccc(Br)cc3)sc12.
What is the InChIKey of 2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
The InChIKey is AKBYCJSRLWEERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O3S/c18-10-3-1-9(2-4-10)13-7-12-15(25-13)14(17(22)23)20-21-16(12)19-11-5-6-24-8-11/h1-8H,(H,19,21)(H,22,23).
What are the key properties of 2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid?
2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid has a molecular weight of 416.26 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxylic acid is sourced from PubChem (CID 123706135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).