N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide

C26H20FN7O — CID 118547789

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C4=CCc5ccncc54)cn3n2)n1C
InChIInChI=1S/C26H20FN7O/c1-15-29-24(17-3-6-18(27)7-4-17)25(33(15)2)21-9-10-23-30-22(14-34(23)32-21)31-26(35)19-8-5-16-11-12-28-13-20(16)19/h3-4,6-14H,5H2,1-2H3,(H,31,35)
InChIKeyKMVXBTIOSWQJNE-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.22
Rot. Bonds4

About N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide (PubChem CID 118547789) has the molecular formula C26H20FN7O and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide
PubChem CID118547789
Molecular FormulaC26H20FN7O
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C4=CCc5ccncc54)cn3n2)n1C
InChIInChI=1S/C26H20FN7O/c1-15-29-24(17-3-6-18(27)7-4-17)25(33(15)2)21-9-10-23-30-22(14-34(23)32-21)31-26(35)19-8-5-16-11-12-28-13-20(16)19/h3-4,6-14H,5H2,1-2H3,(H,31,35)
InChIKeyKMVXBTIOSWQJNE-UHFFFAOYSA-N
XLogP4.22
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-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 N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide (CID 118547789) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C4=CCc5ccncc54)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide?
The InChIKey is KMVXBTIOSWQJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c1-15-29-24(17-3-6-18(27)7-4-17)25(33(15)2)21-9-10-23-30-22(14-34(23)32-21)31-26(35)19-8-5-16-11-12-28-13-20(16)19/h3-4,6-14H,5H2,1-2H3,(H,31,35).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5H-cyclopenta[c]pyridine-7-carboxamide is sourced from PubChem (CID 118547789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).