5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide

C26H24F2N6O3 — CID 155074178

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1
InChIInChI=1S/C26H24F2N6O3/c1-14-20(26(36)30-11-18-7-19(27)9-21(28)25(18)37-13-16-3-4-16)8-17(10-29-14)22-5-6-24-32-23(31-15(2)35)12-34(24)33-22/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyPJLUPVRPPPUFDN-UHFFFAOYSA-N
MW506.51 g/mol
LogP4.06
Rot. Bonds8

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide (PubChem CID 155074178) has the molecular formula C26H24F2N6O3 and a molecular weight of 506.51 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide
PubChem CID155074178
Molecular FormulaC26H24F2N6O3
Molecular Weight506.51 g/mol
Exact Mass506.19
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1
InChIInChI=1S/C26H24F2N6O3/c1-14-20(26(36)30-11-18-7-19(27)9-21(28)25(18)37-13-16-3-4-16)8-17(10-29-14)22-5-6-24-32-23(31-15(2)35)12-34(24)33-22/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyPJLUPVRPPPUFDN-UHFFFAOYSA-N
XLogP4.06
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide (CID 155074178) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is PJLUPVRPPPUFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O3/c1-14-20(26(36)30-11-18-7-19(27)9-21(28)25(18)37-13-16-3-4-16)8-17(10-29-14)22-5-6-24-32-23(31-15(2)35)12-34(24)33-22/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,30,36)(H,31,35).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 506.51 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).