5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide

C26H24F2N6O4 — CID 155074104

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)cc(F)c4O[C@H]4CCOC4)c3)ccc2n1
InChIInChI=1S/C26H24F2N6O4/c1-14-20(8-16(10-29-14)22-3-4-24-32-23(31-15(2)35)12-34(24)33-22)26(36)30-11-17-7-18(27)9-21(28)25(17)38-19-5-6-37-13-19/h3-4,7-10,12,19H,5-6,11,13H2,1-2H3,(H,30,36)(H,31,35)/t19-/m0/s1
InChIKeyNZPJAQBDZXDQRT-IBGZPJMESA-N
MW522.51 g/mol
LogP3.43
Rot. Bonds7

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide (PubChem CID 155074104) has the molecular formula C26H24F2N6O4 and a molecular weight of 522.51 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide
PubChem CID155074104
Molecular FormulaC26H24F2N6O4
Molecular Weight522.51 g/mol
Exact Mass522.18
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)cc(F)c4O[C@H]4CCOC4)c3)ccc2n1
InChIInChI=1S/C26H24F2N6O4/c1-14-20(8-16(10-29-14)22-3-4-24-32-23(31-15(2)35)12-34(24)33-22)26(36)30-11-17-7-18(27)9-21(28)25(17)38-19-5-6-37-13-19/h3-4,7-10,12,19H,5-6,11,13H2,1-2H3,(H,30,36)(H,31,35)/t19-/m0/s1
InChIKeyNZPJAQBDZXDQRT-IBGZPJMESA-N
XLogP3.43
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide (CID 155074104) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(F)cc(F)c4O[C@H]4CCOC4)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is NZPJAQBDZXDQRT-IBGZPJMESA-N. The full InChI is InChI=1S/C26H24F2N6O4/c1-14-20(8-16(10-29-14)22-3-4-24-32-23(31-15(2)35)12-34(24)33-22)26(36)30-11-17-7-18(27)9-21(28)25(17)38-19-5-6-37-13-19/h3-4,7-10,12,19H,5-6,11,13H2,1-2H3,(H,30,36)(H,31,35)/t19-/m0/s1.
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 522.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).