4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C21H17BrN6O — CID 147227796

IUPAC4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1nc2ncc(-c3cn(C)c(=O)c4[nH]ccc34)nc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C21H17BrN6O/c1-12-25-19-20(28(12)10-13-3-5-14(22)6-4-13)26-17(9-24-19)16-11-27(2)21(29)18-15(16)7-8-23-18/h3-9,11,23H,10H2,1-2H3
InChIKeyCIHVGGPOFIBYCM-UHFFFAOYSA-N
MW449.31 g/mol
LogP3.79
Rot. Bonds3

About 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 147227796) has the molecular formula C21H17BrN6O and a molecular weight of 449.31 g/mol. Its IUPAC name is 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID147227796
Molecular FormulaC21H17BrN6O
Molecular Weight449.31 g/mol
Exact Mass448.06
IUPAC Name4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1nc2ncc(-c3cn(C)c(=O)c4[nH]ccc34)nc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C21H17BrN6O/c1-12-25-19-20(28(12)10-13-3-5-14(22)6-4-13)26-17(9-24-19)16-11-27(2)21(29)18-15(16)7-8-23-18/h3-9,11,23H,10H2,1-2H3
InChIKeyCIHVGGPOFIBYCM-UHFFFAOYSA-N
XLogP3.79
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 147227796) is 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1nc2ncc(-c3cn(C)c(=O)c4[nH]ccc34)nc2n1Cc1ccc(Br)cc1.
What is the InChIKey of 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is CIHVGGPOFIBYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN6O/c1-12-25-19-20(28(12)10-13-3-5-14(22)6-4-13)26-17(9-24-19)16-11-27(2)21(29)18-15(16)7-8-23-18/h3-9,11,23H,10H2,1-2H3.
What are the key properties of 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 449.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyrazin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 147227796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).