N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide

C25H18FN5O3S — CID 59175242

IUPACN-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(F)c4)c3)ccc2n1
InChIInChI=1S/C25H18FN5O3S/c1-15-10-11-35-23(15)25(33)29-20-14-31-21(28-20)8-9-22(30-31)34-19-7-3-6-18(13-19)27-24(32)16-4-2-5-17(26)12-16/h2-14H,1H3,(H,27,32)(H,29,33)
InChIKeyFHQKRRPVOLXLPE-UHFFFAOYSA-N
MW487.52 g/mol
LogP5.54
Rot. Bonds6

About N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide

N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide (PubChem CID 59175242) has the molecular formula C25H18FN5O3S and a molecular weight of 487.52 g/mol. Its IUPAC name is N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
PubChem CID59175242
Molecular FormulaC25H18FN5O3S
Molecular Weight487.52 g/mol
Exact Mass487.11
IUPAC NameN-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(F)c4)c3)ccc2n1
InChIInChI=1S/C25H18FN5O3S/c1-15-10-11-35-23(15)25(33)29-20-14-31-21(28-20)8-9-22(30-31)34-19-7-3-6-18(13-19)27-24(32)16-4-2-5-17(26)12-16/h2-14H,1H3,(H,27,32)(H,29,33)
InChIKeyFHQKRRPVOLXLPE-UHFFFAOYSA-N
XLogP5.54
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-N-[6-[3-[(3-phosphanylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]thiophene-2-carboxamide
CID 143620257
N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
CID 59175501
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 57386062
N-[3-[2-[[2-(dimethylamino)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 24767995
tert-butyl N-[6-[3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
CID 157094634
3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide
CID 133286212
N-cyclopropyloxy-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-2-amine
CID 143620600
6-ethoxy-N-(3-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051064
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide
CID 133286232
3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 58243321
N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 17415846

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide (CID 59175242) is N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(F)c4)c3)ccc2n1.
What is the InChIKey of N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is FHQKRRPVOLXLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O3S/c1-15-10-11-35-23(15)25(33)29-20-14-31-21(28-20)8-9-22(30-31)34-19-7-3-6-18(13-19)27-24(32)16-4-2-5-17(26)12-16/h2-14H,1H3,(H,27,32)(H,29,33).
What are the key properties of N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide?
N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 59175242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).