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

C27H20FN7O — CID 118538624

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cccc5cnccc45)cn3n2)n1C
InChIInChI=1S/C27H20FN7O/c1-16-30-25(17-6-8-19(28)9-7-17)26(34(16)2)22-10-11-24-31-23(15-35(24)33-22)32-27(36)21-5-3-4-18-14-29-13-12-20(18)21/h3-15H,1-2H3,(H,32,36)
InChIKeyBJIURAUGJMQQJO-UHFFFAOYSA-N
MW477.50 g/mol
LogP5.04
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide (PubChem CID 118538624) has the molecular formula C27H20FN7O and a molecular weight of 477.50 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide
PubChem CID118538624
Molecular FormulaC27H20FN7O
Molecular Weight477.50 g/mol
Exact Mass477.17
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cccc5cnccc45)cn3n2)n1C
InChIInChI=1S/C27H20FN7O/c1-16-30-25(17-6-8-19(28)9-7-17)26(34(16)2)22-10-11-24-31-23(15-35(24)33-22)32-27(36)21-5-3-4-18-14-29-13-12-20(18)21/h3-15H,1-2H3,(H,32,36)
InChIKeyBJIURAUGJMQQJO-UHFFFAOYSA-N
XLogP5.04
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 24826799
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CID 25145656
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CID 91933883
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CID 46908927
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CID 67501411
CID 67501411
CID 3113005
CID 3113005
CID 71475839
CID 71475839
CID 122201352
CID 122201352
CID 71450146
CID 71450146
CID 24826880
CID 24826880
CID 121322599
CID 121322599
CID 71550931
CID 71550931

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]isoquinoline-5-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide (CID 118538624) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cccc5cnccc45)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide?
The InChIKey is BJIURAUGJMQQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN7O/c1-16-30-25(17-6-8-19(28)9-7-17)26(34(16)2)22-10-11-24-31-23(15-35(24)33-22)32-27(36)21-5-3-4-18-14-29-13-12-20(18)21/h3-15H,1-2H3,(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]isoquinoline-5-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-5-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 5.04, 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]isoquinoline-5-carboxamide is sourced from PubChem (CID 118538624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).