N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C19H16BrN5O2 — CID 55975870

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)NCc2cn3cc(Br)ccc3n2)c2ccccc2c1=O
InChIInChI=1S/C19H16BrN5O2/c1-24-19(27)15-5-3-2-4-14(15)16(23-24)8-18(26)21-9-13-11-25-10-12(20)6-7-17(25)22-13/h2-7,10-11H,8-9H2,1H3,(H,21,26)
InChIKeyWHOOZCNJDXGMES-UHFFFAOYSA-N
MW426.27 g/mol
LogP2.20
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 55975870) has the molecular formula C19H16BrN5O2 and a molecular weight of 426.27 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID55975870
Molecular FormulaC19H16BrN5O2
Molecular Weight426.27 g/mol
Exact Mass425.05
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)NCc2cn3cc(Br)ccc3n2)c2ccccc2c1=O
InChIInChI=1S/C19H16BrN5O2/c1-24-19(27)15-5-3-2-4-14(15)16(23-24)8-18(26)21-9-13-11-25-10-12(20)6-7-17(25)22-13/h2-7,10-11H,8-9H2,1H3,(H,21,26)
InChIKeyWHOOZCNJDXGMES-UHFFFAOYSA-N
XLogP2.20
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 55975870) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)NCc2cn3cc(Br)ccc3n2)c2ccccc2c1=O.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is WHOOZCNJDXGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O2/c1-24-19(27)15-5-3-2-4-14(15)16(23-24)8-18(26)21-9-13-11-25-10-12(20)6-7-17(25)22-13/h2-7,10-11H,8-9H2,1H3,(H,21,26).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 426.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 55975870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).