1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C21H23N7O — CID 139530415

IUPAC1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C21H23N7O/c1-13-23-21(19-12-27(14(2)29)7-8-28(13)19)15-5-6-18-17(9-15)20(24-26(18)4)16-10-22-25(3)11-16/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyIBWLKBUSZLVGMO-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.51
Rot. Bonds2

About 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530415) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530415
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C21H23N7O/c1-13-23-21(19-12-27(14(2)29)7-8-28(13)19)15-5-6-18-17(9-15)20(24-26(18)4)16-10-22-25(3)11-16/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyIBWLKBUSZLVGMO-UHFFFAOYSA-N
XLogP2.51
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530415) is 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.
What is the InChIKey of 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is IBWLKBUSZLVGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-23-21(19-12-27(14(2)29)7-8-28(13)19)15-5-6-18-17(9-15)20(24-26(18)4)16-10-22-25(3)11-16/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 389.46 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).