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

C26H32N8O — CID 139530500

IUPAC1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C26H32N8O/c1-17(35)33-11-12-34-23(16-33)25(28-26(34)18-7-9-30(2)10-8-18)19-5-6-22-21(13-19)24(29-32(22)4)20-14-27-31(3)15-20/h5-6,13-15,18H,7-12,16H2,1-4H3
InChIKeySLXQKSBJCOQPHD-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.01
Rot. Bonds3

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

1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530500) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530500
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C26H32N8O/c1-17(35)33-11-12-34-23(16-33)25(28-26(34)18-7-9-30(2)10-8-18)19-5-6-22-21(13-19)24(29-32(22)4)20-14-27-31(3)15-20/h5-6,13-15,18H,7-12,16H2,1-4H3
InChIKeySLXQKSBJCOQPHD-UHFFFAOYSA-N
XLogP3.01
TPSA77.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530500) is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.
What is the InChIKey of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is SLXQKSBJCOQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-17(35)33-11-12-34-23(16-33)25(28-26(34)18-7-9-30(2)10-8-18)19-5-6-22-21(13-19)24(29-32(22)4)20-14-27-31(3)15-20/h5-6,13-15,18H,7-12,16H2,1-4H3.
What are the key properties of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 472.60 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).