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

C27H32N8O2 — CID 139530305

IUPAC1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c3n2CCN(C(C)=O)C3)CC1
InChIInChI=1S/C27H32N8O2/c1-17(36)33-9-7-19(8-10-33)27-29-26(24-16-34(18(2)37)11-12-35(24)27)20-5-6-23-22(13-20)25(30-32(23)4)21-14-28-31(3)15-21/h5-6,13-15,19H,7-12,16H2,1-4H3
InChIKeyJKOMGWIGYRCKBQ-UHFFFAOYSA-N
MW500.61 g/mol
LogP2.93
Rot. Bonds3

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

1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone (PubChem CID 139530305) has the molecular formula C27H32N8O2 and a molecular weight of 500.61 g/mol. Its IUPAC name is 1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone
PubChem CID139530305
Molecular FormulaC27H32N8O2
Molecular Weight500.61 g/mol
Exact Mass500.26
IUPAC Name1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c3n2CCN(C(C)=O)C3)CC1
InChIInChI=1S/C27H32N8O2/c1-17(36)33-9-7-19(8-10-33)27-29-26(24-16-34(18(2)37)11-12-35(24)27)20-5-6-23-22(13-20)25(30-32(23)4)21-14-28-31(3)15-21/h5-6,13-15,19H,7-12,16H2,1-4H3
InChIKeyJKOMGWIGYRCKBQ-UHFFFAOYSA-N
XLogP2.93
TPSA94.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone (CID 139530305) is 1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c3n2CCN(C(C)=O)C3)CC1.
What is the InChIKey of 1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is JKOMGWIGYRCKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O2/c1-17(36)33-9-7-19(8-10-33)27-29-26(24-16-34(18(2)37)11-12-35(24)27)20-5-6-23-22(13-20)25(30-32(23)4)21-14-28-31(3)15-21/h5-6,13-15,19H,7-12,16H2,1-4H3.
What are the key properties of 1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 500.61 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 139530305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).