(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol

C17H18N4OS — CID 126496365

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol
SMILESCc1nnc2sc(C(O)N3Cc4ccccc4C3)c(N)c2c1C
InChIInChI=1S/C17H18N4OS/c1-9-10(2)19-20-16-13(9)14(18)15(23-16)17(22)21-7-11-5-3-4-6-12(11)8-21/h3-6,17,22H,7-8,18H2,1-2H3
InChIKeyLJWFOQARFFWUQL-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.90
Rot. Bonds2

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol (PubChem CID 126496365) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol
PubChem CID126496365
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol
SMILESCc1nnc2sc(C(O)N3Cc4ccccc4C3)c(N)c2c1C
InChIInChI=1S/C17H18N4OS/c1-9-10(2)19-20-16-13(9)14(18)15(23-16)17(22)21-7-11-5-3-4-6-12(11)8-21/h3-6,17,22H,7-8,18H2,1-2H3
InChIKeyLJWFOQARFFWUQL-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol (CID 126496365) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol is Cc1nnc2sc(C(O)N3Cc4ccccc4C3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol?
The InChIKey is LJWFOQARFFWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-9-10(2)19-20-16-13(9)14(18)15(23-16)17(22)21-7-11-5-3-4-6-12(11)8-21/h3-6,17,22H,7-8,18H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol has a molecular weight of 326.43 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol is sourced from PubChem (CID 126496365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).