5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C18H18FN5O3S2 — CID 71735833

IUPAC5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4F)C3)c(N)c2c1C
InChIInChI=1S/C18H18FN5O3S2/c1-9-10(2)22-23-18-14(9)15(20)16(28-18)17(25)21-11-7-24(8-11)29(26,27)13-6-4-3-5-12(13)19/h3-6,11H,7-8,20H2,1-2H3,(H,21,25)
InChIKeyZFDRTWMMLIHEKF-UHFFFAOYSA-N
MW435.51 g/mol
LogP1.83
Rot. Bonds4

About 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 71735833) has the molecular formula C18H18FN5O3S2 and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID71735833
Molecular FormulaC18H18FN5O3S2
Molecular Weight435.51 g/mol
Exact Mass435.08
IUPAC Name5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4F)C3)c(N)c2c1C
InChIInChI=1S/C18H18FN5O3S2/c1-9-10(2)22-23-18-14(9)15(20)16(28-18)17(25)21-11-7-24(8-11)29(26,27)13-6-4-3-5-12(13)19/h3-6,11H,7-8,20H2,1-2H3,(H,21,25)
InChIKeyZFDRTWMMLIHEKF-UHFFFAOYSA-N
XLogP1.83
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 71735833) is 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4F)C3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is ZFDRTWMMLIHEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3S2/c1-9-10(2)22-23-18-14(9)15(20)16(28-18)17(25)21-11-7-24(8-11)29(26,27)13-6-4-3-5-12(13)19/h3-6,11H,7-8,20H2,1-2H3,(H,21,25).
What are the key properties of 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 71735833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).