2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide

C18H12FN5OS — CID 67053867

IUPAC2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(Nc2cccnc2)c2cc(-c3cccc(F)c3)sc12
InChIInChI=1S/C18H12FN5OS/c19-11-4-1-3-10(7-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-5-2-6-21-9-12/h1-9H,(H2,20,25)(H,22,24)
InChIKeyVBUAWSSBMKJGLI-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide

2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 67053867) has the molecular formula C18H12FN5OS and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID67053867
Molecular FormulaC18H12FN5OS
Molecular Weight365.39 g/mol
Exact Mass365.07
IUPAC Name2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(Nc2cccnc2)c2cc(-c3cccc(F)c3)sc12
InChIInChI=1S/C18H12FN5OS/c19-11-4-1-3-10(7-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-5-2-6-21-9-12/h1-9H,(H2,20,25)(H,22,24)
InChIKeyVBUAWSSBMKJGLI-UHFFFAOYSA-N
XLogP3.73
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-4-(furan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033655
4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 11594527
2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034772
5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
CID 134103716
4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 10268738
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxylic acid
CID 167353373
4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 58103172
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
N-(3-fluorophenyl)-3-(4-pyridin-3-ylanilino)benzamide
CID 164589782
4-fluoro-2-(pyridin-3-ylamino)benzoic acid
CID 139804655
N-[5-(4-fluorophenyl)thiophen-3-yl]pyridin-3-amine
CID 174674193

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (CID 67053867) is 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(Nc2cccnc2)c2cc(-c3cccc(F)c3)sc12.
What is the InChIKey of 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is VBUAWSSBMKJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5OS/c19-11-4-1-3-10(7-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-5-2-6-21-9-12/h1-9H,(H2,20,25)(H,22,24).
What are the key properties of 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 67053867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).