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

C18H12FN5OS — CID 51034433

IUPAC2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(Nc2cccnc2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C18H12FN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h1-9H,(H2,20,25)(H,22,24)
InChIKeyPSRHYLXEZUGHSM-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.73
Rot. Bonds4

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

2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 51034433) has the molecular formula C18H12FN5OS and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID51034433
Molecular FormulaC18H12FN5OS
Molecular Weight365.39 g/mol
Exact Mass365.07
IUPAC Name2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(Nc2cccnc2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C18H12FN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h1-9H,(H2,20,25)(H,22,24)
InChIKeyPSRHYLXEZUGHSM-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (CID 51034433) is 2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(Nc2cccnc2)c2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is PSRHYLXEZUGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h1-9H,(H2,20,25)(H,22,24).
What are the key properties of 2-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
2-(4-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-(4-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 51034433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).