5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide

C23H20F2N6O4 — CID 155074200

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1c(F)ccc(F)c1OC
InChIInChI=1S/C23H20F2N6O4/c1-12(32)28-19-11-31-20(29-19)7-6-18(30-31)13-8-14(23(35-3)27-9-13)22(33)26-10-15-16(24)4-5-17(25)21(15)34-2/h4-9,11H,10H2,1-3H3,(H,26,33)(H,28,32)
InChIKeyKUVJMYINFFODPB-UHFFFAOYSA-N
MW482.45 g/mol
LogP2.98
Rot. Bonds7

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155074200) has the molecular formula C23H20F2N6O4 and a molecular weight of 482.45 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
PubChem CID155074200
Molecular FormulaC23H20F2N6O4
Molecular Weight482.45 g/mol
Exact Mass482.15
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1c(F)ccc(F)c1OC
InChIInChI=1S/C23H20F2N6O4/c1-12(32)28-19-11-31-20(29-19)7-6-18(30-31)13-8-14(23(35-3)27-9-13)22(33)26-10-15-16(24)4-5-17(25)21(15)34-2/h4-9,11H,10H2,1-3H3,(H,26,33)(H,28,32)
InChIKeyKUVJMYINFFODPB-UHFFFAOYSA-N
XLogP2.98
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide (CID 155074200) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1c(F)ccc(F)c1OC.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is KUVJMYINFFODPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O4/c1-12(32)28-19-11-31-20(29-19)7-6-18(30-31)13-8-14(23(35-3)27-9-13)22(33)26-10-15-16(24)4-5-17(25)21(15)34-2/h4-9,11H,10H2,1-3H3,(H,26,33)(H,28,32).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 482.45 g/mol, XLogP of 2.98, 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-[(3,6-difluoro-2-methoxyphenyl)methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155074200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).