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N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide

C22H18BrFN8O — CID 139487505

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Br)c(F)c12)c1cnn(Cc2cn3nc(C4CC4)ccc3n2)c1
InChIInChI=1S/C22H18BrFN8O/c23-16-5-6-30-12-26-18(21(30)20(16)24)8-25-22(33)14-7-27-31(9-14)10-15-11-32-19(28-15)4-3-17(29-32)13-1-2-13/h3-7,9,11-13H,1-2,8,10H2,(H,25,33)
InChIKeyKJCJLAIODLIUMC-UHFFFAOYSA-N
MW509.34 g/mol
LogP3.33
Rot. Bonds6

About N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487505) has the molecular formula C22H18BrFN8O and a molecular weight of 509.34 g/mol. Its IUPAC name is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139487505
Molecular FormulaC22H18BrFN8O
Molecular Weight509.34 g/mol
Exact Mass508.08
IUPAC NameN-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Br)c(F)c12)c1cnn(Cc2cn3nc(C4CC4)ccc3n2)c1
InChIInChI=1S/C22H18BrFN8O/c23-16-5-6-30-12-26-18(21(30)20(16)24)8-25-22(33)14-7-27-31(9-14)10-15-11-32-19(28-15)4-3-17(29-32)13-1-2-13/h3-7,9,11-13H,1-2,8,10H2,(H,25,33)
InChIKeyKJCJLAIODLIUMC-UHFFFAOYSA-N
XLogP3.33
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487505) is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Br)c(F)c12)c1cnn(Cc2cn3nc(C4CC4)ccc3n2)c1.
What is the InChIKey of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is KJCJLAIODLIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN8O/c23-16-5-6-30-12-26-18(21(30)20(16)24)8-25-22(33)14-7-27-31(9-14)10-15-11-32-19(28-15)4-3-17(29-32)13-1-2-13/h3-7,9,11-13H,1-2,8,10H2,(H,25,33).
What are the key properties of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 509.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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