5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C17H16F2N4O2S — CID 171343599

IUPAC5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1F
InChIInChI=1S/C17H16F2N4O2S/c1-7-8(2)22-23-17-11(7)14(20)15(26-17)16(24)21-6-9-4-5-10(25-3)13(19)12(9)18/h4-5H,6,20H2,1-3H3,(H,21,24)
InChIKeyFYTQBNSBWFIQMB-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.11
Rot. Bonds4

About 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 171343599) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID171343599
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1F
InChIInChI=1S/C17H16F2N4O2S/c1-7-8(2)22-23-17-11(7)14(20)15(26-17)16(24)21-6-9-4-5-10(25-3)13(19)12(9)18/h4-5H,6,20H2,1-3H3,(H,21,24)
InChIKeyFYTQBNSBWFIQMB-UHFFFAOYSA-N
XLogP3.11
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 171343599) is 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1F.
What is the InChIKey of 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is FYTQBNSBWFIQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-7-8(2)22-23-17-11(7)14(20)15(26-17)16(24)21-6-9-4-5-10(25-3)13(19)12(9)18/h4-5H,6,20H2,1-3H3,(H,21,24).
What are the key properties of 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 171343599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).