5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C17H18FN5O2S — CID 122691555

IUPAC5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCc3ccc(OC(C)F)cn3)c(N)c2c1C
InChIInChI=1S/C17H18FN5O2S/c1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(24)21-6-11-4-5-12(7-20-11)25-10(3)18/h4-5,7,10H,6,19H2,1-3H3,(H,21,24)
InChIKeyNNLMTWWXGOZGLQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.91
Rot. Bonds5

About 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 122691555) has the molecular formula C17H18FN5O2S and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID122691555
Molecular FormulaC17H18FN5O2S
Molecular Weight375.43 g/mol
Exact Mass375.12
IUPAC Name5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCc3ccc(OC(C)F)cn3)c(N)c2c1C
InChIInChI=1S/C17H18FN5O2S/c1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(24)21-6-11-4-5-12(7-20-11)25-10(3)18/h4-5,7,10H,6,19H2,1-3H3,(H,21,24)
InChIKeyNNLMTWWXGOZGLQ-UHFFFAOYSA-N
XLogP2.91
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 122691555) is 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)NCc3ccc(OC(C)F)cn3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is NNLMTWWXGOZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2S/c1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(24)21-6-11-4-5-12(7-20-11)25-10(3)18/h4-5,7,10H,6,19H2,1-3H3,(H,21,24).
What are the key properties of 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 122691555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).