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

C26H25FN6O3 — CID 155074111

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cccc(F)c4OCC4CC4)cnc3C)ccc2n1
InChIInChI=1S/C26H25FN6O3/c1-15-20(22-8-9-24-31-23(30-16(2)34)13-33(24)32-22)10-19(12-28-15)26(35)29-11-18-4-3-5-21(27)25(18)36-14-17-6-7-17/h3-5,8-10,12-13,17H,6-7,11,14H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyKXHGKTZDUXSICN-UHFFFAOYSA-N
MW488.52 g/mol
LogP3.92
Rot. Bonds8

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 155074111) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID155074111
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cccc(F)c4OCC4CC4)cnc3C)ccc2n1
InChIInChI=1S/C26H25FN6O3/c1-15-20(22-8-9-24-31-23(30-16(2)34)13-33(24)32-22)10-19(12-28-15)26(35)29-11-18-4-3-5-21(27)25(18)36-14-17-6-7-17/h3-5,8-10,12-13,17H,6-7,11,14H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyKXHGKTZDUXSICN-UHFFFAOYSA-N
XLogP3.92
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.92
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-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide (CID 155074111) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cccc(F)c4OCC4CC4)cnc3C)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is KXHGKTZDUXSICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-15-20(22-8-9-24-31-23(30-16(2)34)13-33(24)32-22)10-19(12-28-15)26(35)29-11-18-4-3-5-21(27)25(18)36-14-17-6-7-17/h3-5,8-10,12-13,17H,6-7,11,14H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 488.52 g/mol, XLogP of 3.92, 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-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).