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

C26H25FN6O3 — CID 155074278

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cncc(C(=O)NCc4cc(F)ccc4OC4CCCC4)c3)ccc2n1
InChIInChI=1S/C26H25FN6O3/c1-16(34)30-24-15-33-25(31-24)9-7-22(32-33)17-10-19(13-28-12-17)26(35)29-14-18-11-20(27)6-8-23(18)36-21-4-2-3-5-21/h6-13,15,21H,2-5,14H2,1H3,(H,29,35)(H,30,34)
InChIKeyQWRUVZBFEBJRDN-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.14
Rot. Bonds7

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 155074278) 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-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID155074278
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cncc(C(=O)NCc4cc(F)ccc4OC4CCCC4)c3)ccc2n1
InChIInChI=1S/C26H25FN6O3/c1-16(34)30-24-15-33-25(31-24)9-7-22(32-33)17-10-19(13-28-12-17)26(35)29-14-18-11-20(27)6-8-23(18)36-21-4-2-3-5-21/h6-13,15,21H,2-5,14H2,1H3,(H,29,35)(H,30,34)
InChIKeyQWRUVZBFEBJRDN-UHFFFAOYSA-N
XLogP4.14
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.14
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-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide (CID 155074278) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cncc(C(=O)NCc4cc(F)ccc4OC4CCCC4)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is QWRUVZBFEBJRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-16(34)30-24-15-33-25(31-24)9-7-22(32-33)17-10-19(13-28-12-17)26(35)29-14-18-11-20(27)6-8-23(18)36-21-4-2-3-5-21/h6-13,15,21H,2-5,14H2,1H3,(H,29,35)(H,30,34).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 488.52 g/mol, XLogP of 4.14, 7 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-cyclopentyloxy-5-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155074278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).