N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide

C27H22FN7O2 — CID 118538902

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc(C)n5C)ccc4n3)cc12
InChIInChI=1S/C27H22FN7O2/c1-15-29-25(16-7-9-17(28)10-8-16)26(34(15)2)20-11-12-24-31-23(14-35(24)33-20)32-27(36)21-13-18-19(30-21)5-4-6-22(18)37-3/h4-14,30H,1-3H3,(H,32,36)
InChIKeyLCAFSQYDEMRWBA-UHFFFAOYSA-N
MW495.52 g/mol
LogP4.99
Rot. Bonds5

About N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 118538902) has the molecular formula C27H22FN7O2 and a molecular weight of 495.52 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID118538902
Molecular FormulaC27H22FN7O2
Molecular Weight495.52 g/mol
Exact Mass495.18
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc(C)n5C)ccc4n3)cc12
InChIInChI=1S/C27H22FN7O2/c1-15-29-25(16-7-9-17(28)10-8-16)26(34(15)2)20-11-12-24-31-23(14-35(24)33-20)32-27(36)21-13-18-19(30-21)5-4-6-22(18)37-3/h4-14,30H,1-3H3,(H,32,36)
InChIKeyLCAFSQYDEMRWBA-UHFFFAOYSA-N
XLogP4.99
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 118538902) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc(C)n5C)ccc4n3)cc12.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is LCAFSQYDEMRWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7O2/c1-15-29-25(16-7-9-17(28)10-8-16)26(34(15)2)20-11-12-24-31-23(14-35(24)33-20)32-27(36)21-13-18-19(30-21)5-4-6-22(18)37-3/h4-14,30H,1-3H3,(H,32,36).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 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]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 118538902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).