1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C23H27N7O — CID 139530311

IUPAC1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C(C)C)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C23H27N7O/c1-14(2)23-25-22(20-13-29(15(3)31)8-9-30(20)23)16-6-7-19-18(10-16)21(26-28(19)5)17-11-24-27(4)12-17/h6-7,10-12,14H,8-9,13H2,1-5H3
InChIKeyPJYZIPVYIULXST-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.32
Rot. Bonds3

About 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-propan-2-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-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530311) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-propan-2-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-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530311
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C(C)C)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C23H27N7O/c1-14(2)23-25-22(20-13-29(15(3)31)8-9-30(20)23)16-6-7-19-18(10-16)21(26-28(19)5)17-11-24-27(4)12-17/h6-7,10-12,14H,8-9,13H2,1-5H3
InChIKeyPJYZIPVYIULXST-UHFFFAOYSA-N
XLogP3.32
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-propan-2-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-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530311) is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-propan-2-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-propan-2-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-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C(C)C)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-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is PJYZIPVYIULXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-14(2)23-25-22(20-13-29(15(3)31)8-9-30(20)23)16-6-7-19-18(10-16)21(26-28(19)5)17-11-24-27(4)12-17/h6-7,10-12,14H,8-9,13H2,1-5H3.
What are the key properties of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-propan-2-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-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 417.52 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).