N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide

C23H19F2N5O2 — CID 71525355

IUPACN-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCc2cc(F)cc(F)c2)nn1
InChIInChI=1S/C23H19F2N5O2/c1-14-19(22(30-32-14)16-5-3-2-4-6-16)13-26-21-8-7-20(28-29-21)23(31)27-12-15-9-17(24)11-18(25)10-15/h2-11H,12-13H2,1H3,(H,26,29)(H,27,31)
InChIKeyZMOGRJLCEHVTEZ-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.26
Rot. Bonds7

About N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide (PubChem CID 71525355) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide
PubChem CID71525355
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC NameN-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCc2cc(F)cc(F)c2)nn1
InChIInChI=1S/C23H19F2N5O2/c1-14-19(22(30-32-14)16-5-3-2-4-6-16)13-26-21-8-7-20(28-29-21)23(31)27-12-15-9-17(24)11-18(25)10-15/h2-11H,12-13H2,1H3,(H,26,29)(H,27,31)
InChIKeyZMOGRJLCEHVTEZ-UHFFFAOYSA-N
XLogP4.26
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide (CID 71525355) is N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide is Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCc2cc(F)cc(F)c2)nn1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide?
The InChIKey is ZMOGRJLCEHVTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-14-19(22(30-32-14)16-5-3-2-4-6-16)13-26-21-8-7-20(28-29-21)23(31)27-12-15-9-17(24)11-18(25)10-15/h2-11H,12-13H2,1H3,(H,26,29)(H,27,31).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 71525355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).