3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine

C19H17BrN6O — CID 155479135

IUPAC3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2nccn3c(Br)cnc23)cnc1-c1ccnc(C)c1
InChIInChI=1S/C19H17BrN6O/c1-12-7-14(3-4-21-12)17-15(27-2)8-13(9-23-17)10-24-18-19-25-11-16(20)26(19)6-5-22-18/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyODJZONXTDDCCBH-UHFFFAOYSA-N
MW425.29 g/mol
LogP3.88
Rot. Bonds5

About 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine

3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 155479135) has the molecular formula C19H17BrN6O and a molecular weight of 425.29 g/mol. Its IUPAC name is 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID155479135
Molecular FormulaC19H17BrN6O
Molecular Weight425.29 g/mol
Exact Mass424.06
IUPAC Name3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2nccn3c(Br)cnc23)cnc1-c1ccnc(C)c1
InChIInChI=1S/C19H17BrN6O/c1-12-7-14(3-4-21-12)17-15(27-2)8-13(9-23-17)10-24-18-19-25-11-16(20)26(19)6-5-22-18/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyODJZONXTDDCCBH-UHFFFAOYSA-N
XLogP3.88
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine (CID 155479135) is 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(CNc2nccn3c(Br)cnc23)cnc1-c1ccnc(C)c1.
What is the InChIKey of 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ODJZONXTDDCCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6O/c1-12-7-14(3-4-21-12)17-15(27-2)8-13(9-23-17)10-24-18-19-25-11-16(20)26(19)6-5-22-18/h3-9,11H,10H2,1-2H3,(H,22,24).
What are the key properties of 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine?
3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 425.29 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 155479135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).