methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate

C25H25FN4O4 — CID 171832420

IUPACmethyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate
SMILESCOC(=O)N(Cc1ccc(C)cc1C)NC(=O)c1cnncc1Oc1cccc(C2CC2)c1F
InChIInChI=1S/C25H25FN4O4/c1-15-7-8-18(16(2)11-15)14-30(25(32)33-3)29-24(31)20-12-27-28-13-22(20)34-21-6-4-5-19(23(21)26)17-9-10-17/h4-8,11-13,17H,9-10,14H2,1-3H3,(H,29,31)
InChIKeyULIPSOXFFGLZBW-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.82
Rot. Bonds6

About methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate

methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate (PubChem CID 171832420) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate
PubChem CID171832420
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Namemethyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate
SMILESCOC(=O)N(Cc1ccc(C)cc1C)NC(=O)c1cnncc1Oc1cccc(C2CC2)c1F
InChIInChI=1S/C25H25FN4O4/c1-15-7-8-18(16(2)11-15)14-30(25(32)33-3)29-24(31)20-12-27-28-13-22(20)34-21-6-4-5-19(23(21)26)17-9-10-17/h4-8,11-13,17H,9-10,14H2,1-3H3,(H,29,31)
InChIKeyULIPSOXFFGLZBW-UHFFFAOYSA-N
XLogP4.82
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate?
The IUPAC name of methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate (CID 171832420) is methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate?
The canonical SMILES for methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate is COC(=O)N(Cc1ccc(C)cc1C)NC(=O)c1cnncc1Oc1cccc(C2CC2)c1F.
What is the InChIKey of methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate?
The InChIKey is ULIPSOXFFGLZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-15-7-8-18(16(2)11-15)14-30(25(32)33-3)29-24(31)20-12-27-28-13-22(20)34-21-6-4-5-19(23(21)26)17-9-10-17/h4-8,11-13,17H,9-10,14H2,1-3H3,(H,29,31).
What are the key properties of methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate?
methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate has a molecular weight of 464.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-(3-cyclopropyl-2-fluorophenoxy)pyridazine-4-carbonyl]amino]-N-[(2,4-dimethylphenyl)methyl]carbamate is sourced from PubChem (CID 171832420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).