(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol

C15H16FN5OS — CID 126496403

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol
SMILESCc1nnc2sc(C(O)NCc3ccc(F)nc3)c(N)c2c1C
InChIInChI=1S/C15H16FN5OS/c1-7-8(2)20-21-15-11(7)12(17)13(23-15)14(22)19-6-9-3-4-10(16)18-5-9/h3-5,14,19,22H,6,17H2,1-2H3
InChIKeyIXIQZEGVOTWQHX-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.21
Rot. Bonds4

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol (PubChem CID 126496403) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol
PubChem CID126496403
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol
SMILESCc1nnc2sc(C(O)NCc3ccc(F)nc3)c(N)c2c1C
InChIInChI=1S/C15H16FN5OS/c1-7-8(2)20-21-15-11(7)12(17)13(23-15)14(22)19-6-9-3-4-10(16)18-5-9/h3-5,14,19,22H,6,17H2,1-2H3
InChIKeyIXIQZEGVOTWQHX-UHFFFAOYSA-N
XLogP2.21
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol (CID 126496403) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol is Cc1nnc2sc(C(O)NCc3ccc(F)nc3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol?
The InChIKey is IXIQZEGVOTWQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5OS/c1-7-8(2)20-21-15-11(7)12(17)13(23-15)14(22)19-6-9-3-4-10(16)18-5-9/h3-5,14,19,22H,6,17H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol has a molecular weight of 333.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(6-fluoro-3-pyridinyl)methylamino]methanol is sourced from PubChem (CID 126496403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).