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

C24H28N8O2 — CID 139543437

IUPAC1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(N3CCOCC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C24H28N8O2/c1-16(33)31-6-7-32-21(15-31)23(26-24(32)30-8-10-34-11-9-30)17-4-5-20-19(12-17)22(27-29(20)3)18-13-25-28(2)14-18/h4-5,12-14H,6-11,15H2,1-3H3
InChIKeyDITCYOUOVVHMAV-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.04
Rot. Bonds3

About 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-morpholin-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-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139543437) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-morpholin-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-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139543437
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(N3CCOCC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C24H28N8O2/c1-16(33)31-6-7-32-21(15-31)23(26-24(32)30-8-10-34-11-9-30)17-4-5-20-19(12-17)22(27-29(20)3)18-13-25-28(2)14-18/h4-5,12-14H,6-11,15H2,1-3H3
InChIKeyDITCYOUOVVHMAV-UHFFFAOYSA-N
XLogP2.04
TPSA86.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-morpholin-4-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-morpholin-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-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139543437) is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-morpholin-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-morpholin-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-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(N3CCOCC3)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-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is DITCYOUOVVHMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-16(33)31-6-7-32-21(15-31)23(26-24(32)30-8-10-34-11-9-30)17-4-5-20-19(12-17)22(27-29(20)3)18-13-25-28(2)14-18/h4-5,12-14H,6-11,15H2,1-3H3.
What are the key properties of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-morpholin-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-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 460.54 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 9 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-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139543437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).