N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine

C18H13F2N5O — CID 46205511

IUPACN-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine
SMILESCc1noc(C)c1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12
InChIInChI=1S/C18H13F2N5O/c1-9-17(10(2)26-25-9)18-12-4-6-16(23-15(12)8-21-24-18)22-14-5-3-11(19)7-13(14)20/h3-8H,1-2H3,(H,22,23)
InChIKeyNWTPTKFJXRWMGG-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.32
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine

N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine (PubChem CID 46205511) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine
PubChem CID46205511
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC NameN-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine
SMILESCc1noc(C)c1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12
InChIInChI=1S/C18H13F2N5O/c1-9-17(10(2)26-25-9)18-12-4-6-16(23-15(12)8-21-24-18)22-14-5-3-11(19)7-13(14)20/h3-8H,1-2H3,(H,22,23)
InChIKeyNWTPTKFJXRWMGG-UHFFFAOYSA-N
XLogP4.32
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine (CID 46205511) is N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine is Cc1noc(C)c1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine?
The InChIKey is NWTPTKFJXRWMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-9-17(10(2)26-25-9)18-12-4-6-16(23-15(12)8-21-24-18)22-14-5-3-11(19)7-13(14)20/h3-8H,1-2H3,(H,22,23).
What are the key properties of N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine?
N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine has a molecular weight of 353.33 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-d]pyridazin-2-amine is sourced from PubChem (CID 46205511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).