N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

C22H20BrN7O — CID 139487504

IUPACN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Br)cc45)cn3)cn2c1C
InChIInChI=1S/C22H20BrN7O/c1-14-3-4-21-27-18(12-30(21)15(14)2)11-29-10-16(8-26-29)22(31)24-9-19-20-7-17(23)5-6-28(20)13-25-19/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,31)
InChIKeyMGRDBYAJBXASLN-UHFFFAOYSA-N
MW478.35 g/mol
LogP3.54
Rot. Bonds5

About N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487504) has the molecular formula C22H20BrN7O and a molecular weight of 478.35 g/mol. Its IUPAC name is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139487504
Molecular FormulaC22H20BrN7O
Molecular Weight478.35 g/mol
Exact Mass477.09
IUPAC NameN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Br)cc45)cn3)cn2c1C
InChIInChI=1S/C22H20BrN7O/c1-14-3-4-21-27-18(12-30(21)15(14)2)11-29-10-16(8-26-29)22(31)24-9-19-20-7-17(23)5-6-28(20)13-25-19/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,31)
InChIKeyMGRDBYAJBXASLN-UHFFFAOYSA-N
XLogP3.54
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487504) is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is Cc1ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Br)cc45)cn3)cn2c1C.
What is the InChIKey of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is MGRDBYAJBXASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN7O/c1-14-3-4-21-27-18(12-30(21)15(14)2)11-29-10-16(8-26-29)22(31)24-9-19-20-7-17(23)5-6-28(20)13-25-19/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,31).
What are the key properties of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 478.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).