8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide

C21H22N6O2 — CID 53188951

IUPAC8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2nccn3cc(C(=O)NCc4c(C)nn(C)c4C)nc23)cc1
InChIInChI=1S/C21H22N6O2/c1-13-17(14(2)26(3)25-13)11-23-21(28)18-12-27-10-9-22-19(20(27)24-18)15-5-7-16(29-4)8-6-15/h5-10,12H,11H2,1-4H3,(H,23,28)
InChIKeyJBHLBLOWAYKTQC-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.69
Rot. Bonds5

About 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide

8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 53188951) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID53188951
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2nccn3cc(C(=O)NCc4c(C)nn(C)c4C)nc23)cc1
InChIInChI=1S/C21H22N6O2/c1-13-17(14(2)26(3)25-13)11-23-21(28)18-12-27-10-9-22-19(20(27)24-18)15-5-7-16(29-4)8-6-15/h5-10,12H,11H2,1-4H3,(H,23,28)
InChIKeyJBHLBLOWAYKTQC-UHFFFAOYSA-N
XLogP2.69
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide (CID 53188951) is 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide is COc1ccc(-c2nccn3cc(C(=O)NCc4c(C)nn(C)c4C)nc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is JBHLBLOWAYKTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13-17(14(2)26(3)25-13)11-23-21(28)18-12-27-10-9-22-19(20(27)24-18)15-5-7-16(29-4)8-6-15/h5-10,12H,11H2,1-4H3,(H,23,28).
What are the key properties of 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 53188951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).