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

C22H18ClFN8O — CID 139487740

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1
InChIInChI=1S/C22H18ClFN8O/c23-15-5-6-31-12-27-17(21(31)20(15)24)7-25-22(33)18-10-30(11-26-18)8-14-9-32-19(28-14)4-3-16(29-32)13-1-2-13/h3-6,9-13H,1-2,7-8H2,(H,25,33)
InChIKeyZYERBHNUHACZNF-UHFFFAOYSA-N
MW464.89 g/mol
LogP3.22
Rot. Bonds6

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide (PubChem CID 139487740) has the molecular formula C22H18ClFN8O and a molecular weight of 464.89 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide
PubChem CID139487740
Molecular FormulaC22H18ClFN8O
Molecular Weight464.89 g/mol
Exact Mass464.13
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1
InChIInChI=1S/C22H18ClFN8O/c23-15-5-6-31-12-27-17(21(31)20(15)24)7-25-22(33)18-10-30(11-26-18)8-14-9-32-19(28-14)4-3-16(29-32)13-1-2-13/h3-6,9-13H,1-2,7-8H2,(H,25,33)
InChIKeyZYERBHNUHACZNF-UHFFFAOYSA-N
XLogP3.22
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.89
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide (CID 139487740) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide?
The InChIKey is ZYERBHNUHACZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN8O/c23-15-5-6-31-12-27-17(21(31)20(15)24)7-25-22(33)18-10-30(11-26-18)8-14-9-32-19(28-14)4-3-16(29-32)13-1-2-13/h3-6,9-13H,1-2,7-8H2,(H,25,33).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide has a molecular weight of 464.89 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 139487740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).