6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide

C22H20F4N6O2 — CID 118320583

IUPAC6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)cc1NCc1cccc(F)c1F
InChIInChI=1S/C22H20F4N6O2/c23-14-3-1-2-12(19(14)26)11-28-17-10-18(30-31-20(17)22(27)33)29-13-8-15(24)21(16(25)9-13)32-4-6-34-7-5-32/h1-3,8-10H,4-7,11H2,(H2,27,33)(H2,28,29,30)
InChIKeyGIPLEHMLSNMONJ-UHFFFAOYSA-N
MW476.43 g/mol
LogP3.32
Rot. Bonds7

About 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide

6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 118320583) has the molecular formula C22H20F4N6O2 and a molecular weight of 476.43 g/mol. Its IUPAC name is 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide
PubChem CID118320583
Molecular FormulaC22H20F4N6O2
Molecular Weight476.43 g/mol
Exact Mass476.16
IUPAC Name6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)cc1NCc1cccc(F)c1F
InChIInChI=1S/C22H20F4N6O2/c23-14-3-1-2-12(19(14)26)11-28-17-10-18(30-31-20(17)22(27)33)29-13-8-15(24)21(16(25)9-13)32-4-6-34-7-5-32/h1-3,8-10H,4-7,11H2,(H2,27,33)(H2,28,29,30)
InChIKeyGIPLEHMLSNMONJ-UHFFFAOYSA-N
XLogP3.32
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide (CID 118320583) is 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide is NC(=O)c1nnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)cc1NCc1cccc(F)c1F.
What is the InChIKey of 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is GIPLEHMLSNMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O2/c23-14-3-1-2-12(19(14)26)11-28-17-10-18(30-31-20(17)22(27)33)29-13-8-15(24)21(16(25)9-13)32-4-6-34-7-5-32/h1-3,8-10H,4-7,11H2,(H2,27,33)(H2,28,29,30).
What are the key properties of 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide?
6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 476.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 118320583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).