5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C32H33FN8O3S2 — CID 123744011

About 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 123744011) has the molecular formula C32H33FN8O3S2 and a molecular weight of 660.80 g/mol. Its IUPAC name is 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 123744011
• Molecular Formula: C32H33FN8O3S2
• Molecular Weight: 660.80 g/mol
• Exact Mass: 660.21
• IUPAC Name: 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: Cc1nnc2sc(C(=O)NC3(c4ccc(OCNc5c(C(=O)N6CC(C)(F)C6)sc6nnc(C)c(C)c56)cc4)CC3)c(N)c2c1C
• InChI: InChI=1S/C32H33FN8O3S2/c1-15-17(3)37-39-28-21(15)23(34)25(45-28)27(42)36-32(10-11-32)19-6-8-20(9-7-19)44-14-35-24-22-16(2)18(4)38-40-29(22)46-26(24)30(43)41-12-31(5,33)13-41/h6-9,35H,10-14,34H2,1-5H3,(H,36,42)
• InChIKey: UHPMXYHHXJWNPB-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 148.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	660.80
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 123744011) is 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)NC3(c4ccc(OCNc5c(C(=O)N6CC(C)(F)C6)sc6nnc(C)c(C)c56)cc4)CC3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is UHPMXYHHXJWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN8O3S2/c1-15-17(3)37-39-28-21(15)23(34)25(45-28)27(42)36-32(10-11-32)19-6-8-20(9-7-19)44-14-35-24-22-16(2)18(4)38-40-29(22)46-26(24)30(43)41-12-31(5,33)13-41/h6-9,35H,10-14,34H2,1-5H3,(H,36,42).

What are the key properties of 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 660.80 g/mol, XLogP of 5.56, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-[4-[[[6-(3-fluoro-3-methylazetidine-1-carbonyl)-3,4-dimethylthieno[2,3-c]pyridazin-5-yl]amino]methoxy]phenyl]cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 123744011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).