N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C26H24F2N6O2 — CID 87112965

IUPACN-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILES[H]/N=C(\C)CNc1cc(Oc2ccc(F)c(F)c2)nn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C26H24F2N6O2/c1-14-9-16(3-7-19(14)26(35)32-17-4-5-17)23-13-31-25-22(30-12-15(2)29)11-24(33-34(23)25)36-18-6-8-20(27)21(28)10-18/h3,6-11,13,17,29-30H,4-5,12H2,1-2H3,(H,32,35)/b29-15+
InChIKeyXEDMKUUCPICXSX-WKULSOCRSA-N
MW490.51 g/mol
LogP5.12
Rot. Bonds8

About N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 87112965) has the molecular formula C26H24F2N6O2 and a molecular weight of 490.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
PubChem CID87112965
Molecular FormulaC26H24F2N6O2
Molecular Weight490.51 g/mol
Exact Mass490.19
IUPAC NameN-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILES[H]/N=C(\C)CNc1cc(Oc2ccc(F)c(F)c2)nn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C26H24F2N6O2/c1-14-9-16(3-7-19(14)26(35)32-17-4-5-17)23-13-31-25-22(30-12-15(2)29)11-24(33-34(23)25)36-18-6-8-20(27)21(28)10-18/h3,6-11,13,17,29-30H,4-5,12H2,1-2H3,(H,32,35)/b29-15+
InChIKeyXEDMKUUCPICXSX-WKULSOCRSA-N
XLogP5.12
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.51
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 87112965) is N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is [H]/N=C(\C)CNc1cc(Oc2ccc(F)c(F)c2)nn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The InChIKey is XEDMKUUCPICXSX-WKULSOCRSA-N. The full InChI is InChI=1S/C26H24F2N6O2/c1-14-9-16(3-7-19(14)26(35)32-17-4-5-17)23-13-31-25-22(30-12-15(2)29)11-24(33-34(23)25)36-18-6-8-20(27)21(28)10-18/h3,6-11,13,17,29-30H,4-5,12H2,1-2H3,(H,32,35)/b29-15+.
What are the key properties of N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 490.51 g/mol, XLogP of 5.12, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 87112965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).