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

C22H18FN7O — CID 118538817

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc[nH]4)cn3n2)n1C
InChIInChI=1S/C22H18FN7O/c1-13-25-20(14-5-7-15(23)8-6-14)21(29(13)2)16-9-10-19-26-18(12-30(19)28-16)27-22(31)17-4-3-11-24-17/h3-12,24H,1-2H3,(H,27,31)
InChIKeyQRPDJMQMCLDQFX-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.82
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 118538817) has the molecular formula C22H18FN7O and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID118538817
Molecular FormulaC22H18FN7O
Molecular Weight415.43 g/mol
Exact Mass415.16
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc[nH]4)cn3n2)n1C
InChIInChI=1S/C22H18FN7O/c1-13-25-20(14-5-7-15(23)8-6-14)21(29(13)2)16-9-10-19-26-18(12-30(19)28-16)27-22(31)17-4-3-11-24-17/h3-12,24H,1-2H3,(H,27,31)
InChIKeyQRPDJMQMCLDQFX-UHFFFAOYSA-N
XLogP3.82
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide (CID 118538817) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-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]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc[nH]4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is QRPDJMQMCLDQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O/c1-13-25-20(14-5-7-15(23)8-6-14)21(29(13)2)16-9-10-19-26-18(12-30(19)28-16)27-22(31)17-4-3-11-24-17/h3-12,24H,1-2H3,(H,27,31).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118538817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).