5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide

C18H18N4O2S — CID 162661731

IUPAC5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCOc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C
InChIInChI=1S/C18H18N4O2S/c1-9-13-14(19)15(25-18(13)22-21-17(9)24-2)16(23)20-12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-8,19H2,1-2H3,(H,20,23)
InChIKeyCPVXWGBOCHIZRB-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.49
Rot. Bonds3

About 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 162661731) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID162661731
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCOc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C
InChIInChI=1S/C18H18N4O2S/c1-9-13-14(19)15(25-18(13)22-21-17(9)24-2)16(23)20-12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-8,19H2,1-2H3,(H,20,23)
InChIKeyCPVXWGBOCHIZRB-UHFFFAOYSA-N
XLogP2.49
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.49
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-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide (CID 162661731) is 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide is COc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is CPVXWGBOCHIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-9-13-14(19)15(25-18(13)22-21-17(9)24-2)16(23)20-12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-8,19H2,1-2H3,(H,20,23).
What are the key properties of 5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.49, 3 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-dihydro-1H-inden-2-yl)-3-methoxy-4-methylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 162661731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).