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

C29H31FN6O4 — CID 155074327

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
SMILESCOc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)ccc1OCC1CCCC1
InChIInChI=1S/C29H31FN6O4/c1-17-22(24-9-11-27-34-26(33-18(2)37)15-36(27)35-24)13-23(29(32-17)39-3)28(38)31-14-20-12-21(30)8-10-25(20)40-16-19-6-4-5-7-19/h8-13,15,19H,4-7,14,16H2,1-3H3,(H,31,38)(H,33,37)
InChIKeyFOBWMSCNWRJIJB-UHFFFAOYSA-N
MW546.60 g/mol
LogP4.70
Rot. Bonds9

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (PubChem CID 155074327) has the molecular formula C29H31FN6O4 and a molecular weight of 546.60 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
PubChem CID155074327
Molecular FormulaC29H31FN6O4
Molecular Weight546.60 g/mol
Exact Mass546.24
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
SMILESCOc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)ccc1OCC1CCCC1
InChIInChI=1S/C29H31FN6O4/c1-17-22(24-9-11-27-34-26(33-18(2)37)15-36(27)35-24)13-23(29(32-17)39-3)28(38)31-14-20-12-21(30)8-10-25(20)40-16-19-6-4-5-7-19/h8-13,15,19H,4-7,14,16H2,1-3H3,(H,31,38)(H,33,37)
InChIKeyFOBWMSCNWRJIJB-UHFFFAOYSA-N
XLogP4.70
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.60
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-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-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide (CID 155074327) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)ccc1OCC1CCCC1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?
The InChIKey is FOBWMSCNWRJIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O4/c1-17-22(24-9-11-27-34-26(33-18(2)37)15-36(27)35-24)13-23(29(32-17)39-3)28(38)31-14-20-12-21(30)8-10-25(20)40-16-19-6-4-5-7-19/h8-13,15,19H,4-7,14,16H2,1-3H3,(H,31,38)(H,33,37).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide has a molecular weight of 546.60 g/mol, XLogP of 4.70, 9 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-[[2-(cyclopentylmethoxy)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155074327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).