5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide

C19H22FN5O2S — CID 123981561

IUPAC5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)N(C)CCNC(O)c3cccc(F)c3)c(N)c2c1C
InChIInChI=1S/C19H22FN5O2S/c1-10-11(2)23-24-18-14(10)15(21)16(28-18)19(27)25(3)8-7-22-17(26)12-5-4-6-13(20)9-12/h4-6,9,17,22,26H,7-8,21H2,1-3H3
InChIKeyNMOKEQZCGHBUFZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.38
Rot. Bonds6

About 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 123981561) has the molecular formula C19H22FN5O2S and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID123981561
Molecular FormulaC19H22FN5O2S
Molecular Weight403.48 g/mol
Exact Mass403.15
IUPAC Name5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)N(C)CCNC(O)c3cccc(F)c3)c(N)c2c1C
InChIInChI=1S/C19H22FN5O2S/c1-10-11(2)23-24-18-14(10)15(21)16(28-18)19(27)25(3)8-7-22-17(26)12-5-4-6-13(20)9-12/h4-6,9,17,22,26H,7-8,21H2,1-3H3
InChIKeyNMOKEQZCGHBUFZ-UHFFFAOYSA-N
XLogP2.38
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 123981561) is 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)N(C)CCNC(O)c3cccc(F)c3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is NMOKEQZCGHBUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S/c1-10-11(2)23-24-18-14(10)15(21)16(28-18)19(27)25(3)8-7-22-17(26)12-5-4-6-13(20)9-12/h4-6,9,17,22,26H,7-8,21H2,1-3H3.
What are the key properties of 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 123981561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).