5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C17H16ClFN4OS — CID 122691471

IUPAC5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1Cl
InChIInChI=1S/C17H16ClFN4OS/c1-7-4-5-11(19)10(13(7)18)6-21-16(24)15-14(20)12-8(2)9(3)22-23-17(12)25-15/h4-5H,6,20H2,1-3H3,(H,21,24)
InChIKeyRKPIIQBFLQROEN-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.92
Rot. Bonds3

About 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 122691471) has the molecular formula C17H16ClFN4OS and a molecular weight of 378.86 g/mol. Its IUPAC name is 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID122691471
Molecular FormulaC17H16ClFN4OS
Molecular Weight378.86 g/mol
Exact Mass378.07
IUPAC Name5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1Cl
InChIInChI=1S/C17H16ClFN4OS/c1-7-4-5-11(19)10(13(7)18)6-21-16(24)15-14(20)12-8(2)9(3)22-23-17(12)25-15/h4-5H,6,20H2,1-3H3,(H,21,24)
InChIKeyRKPIIQBFLQROEN-UHFFFAOYSA-N
XLogP3.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Related Compounds

5-amino-N-[[4-fluoro-3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 158177549
5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691524
5-amino-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691528
5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 107323862
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 115366292
5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691459
5-amino-N',N',3,4-tetramethylthieno[2,3-c]pyridazine-6-carbohydrazide
CID 83025023
3-amino-5-chloro-N-[(2,3-difluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382501
5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide
CID 160823722
5-amino-N-[1-[(2,4-difluorophenyl)-hydroxymethyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502824
5-amino-N-[1-(2-fluoro-4-methylbenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691556
5-amino-3,4-dimethyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 134502874

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 122691471) is 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1Cl.
What is the InChIKey of 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is RKPIIQBFLQROEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4OS/c1-7-4-5-11(19)10(13(7)18)6-21-16(24)15-14(20)12-8(2)9(3)22-23-17(12)25-15/h4-5H,6,20H2,1-3H3,(H,21,24).
What are the key properties of 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 122691471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).