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

C24H27N7O2 — CID 139530508

IUPAC1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CCOC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C24H27N7O2/c1-15(32)30-7-8-31-21(13-30)23(26-24(31)17-6-9-33-14-17)16-4-5-20-19(10-16)22(27-29(20)3)18-11-25-28(2)12-18/h4-5,10-12,17H,6-9,13-14H2,1-3H3
InChIKeyDBVXPQPKNSPLNW-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.70
Rot. Bonds3

About 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-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-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530508) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-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-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530508
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CCOC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C24H27N7O2/c1-15(32)30-7-8-31-21(13-30)23(26-24(31)17-6-9-33-14-17)16-4-5-20-19(10-16)22(27-29(20)3)18-11-25-28(2)12-18/h4-5,10-12,17H,6-9,13-14H2,1-3H3
InChIKeyDBVXPQPKNSPLNW-UHFFFAOYSA-N
XLogP2.70
TPSA83.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-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-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-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-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530508) is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-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-(oxolan-3-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-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CCOC3)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-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is DBVXPQPKNSPLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15(32)30-7-8-31-21(13-30)23(26-24(31)17-6-9-33-14-17)16-4-5-20-19(10-16)22(27-29(20)3)18-11-25-28(2)12-18/h4-5,10-12,17H,6-9,13-14H2,1-3H3.
What are the key properties of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-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-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 445.53 g/mol, XLogP of 2.70, 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-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).