N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C18H18F4N6O2 — CID 90118677

IUPACN-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cc(C)c(OCC(F)(F)C(F)F)nn3)cc12
InChIInChI=1S/C18H18F4N6O2/c1-3-23-15(29)14-12-8-28(27-13(12)4-5-24-14)7-11-6-10(2)16(26-25-11)30-9-18(21,22)17(19)20/h4-6,8,17H,3,7,9H2,1-2H3,(H,23,29)
InChIKeyAXQBAULPOKOYFO-UHFFFAOYSA-N
MW426.37 g/mol
LogP2.61
Rot. Bonds8

About N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118677) has the molecular formula C18H18F4N6O2 and a molecular weight of 426.37 g/mol. Its IUPAC name is N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118677
Molecular FormulaC18H18F4N6O2
Molecular Weight426.37 g/mol
Exact Mass426.14
IUPAC NameN-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cc(C)c(OCC(F)(F)C(F)F)nn3)cc12
InChIInChI=1S/C18H18F4N6O2/c1-3-23-15(29)14-12-8-28(27-13(12)4-5-24-14)7-11-6-10(2)16(26-25-11)30-9-18(21,22)17(19)20/h4-6,8,17H,3,7,9H2,1-2H3,(H,23,29)
InChIKeyAXQBAULPOKOYFO-UHFFFAOYSA-N
XLogP2.61
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118677) is N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is CCNC(=O)c1nccc2nn(Cc3cc(C)c(OCC(F)(F)C(F)F)nn3)cc12.
What is the InChIKey of N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is AXQBAULPOKOYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N6O2/c1-3-23-15(29)14-12-8-28(27-13(12)4-5-24-14)7-11-6-10(2)16(26-25-11)30-9-18(21,22)17(19)20/h4-6,8,17H,3,7,9H2,1-2H3,(H,23,29).
What are the key properties of N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 426.37 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).