5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C18H19FN4O2S — CID 171344969

IUPAC5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
InChIInChI=1S/C18H19FN4O2S/c1-8-9(2)22-23-18-14(8)15(20)16(26-18)17(24)21-10(3)11-5-6-13(25-4)12(19)7-11/h5-7,10H,20H2,1-4H3,(H,21,24)/t10-/m1/s1
InChIKeyRKUJNYIUSSLNNZ-SNVBAGLBSA-N
MW374.44 g/mol
LogP3.53
Rot. Bonds4

About 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 171344969) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID171344969
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
InChIInChI=1S/C18H19FN4O2S/c1-8-9(2)22-23-18-14(8)15(20)16(26-18)17(24)21-10(3)11-5-6-13(25-4)12(19)7-11/h5-7,10H,20H2,1-4H3,(H,21,24)/t10-/m1/s1
InChIKeyRKUJNYIUSSLNNZ-SNVBAGLBSA-N
XLogP3.53
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 171344969) is 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COc1ccc([C@@H](C)NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.
What is the InChIKey of 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is RKUJNYIUSSLNNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-8-9(2)22-23-18-14(8)15(20)16(26-18)17(24)21-10(3)11-5-6-13(25-4)12(19)7-11/h5-7,10H,20H2,1-4H3,(H,21,24)/t10-/m1/s1.
What are the key properties of 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 171344969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).