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

C23H24FN7O — CID 139530464

IUPAC1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(-c3ccc4c(c(-c5cnn(C)c5)nn4C)c3F)c2C1
InChIInChI=1S/C23H24FN7O/c1-13(32)30-8-9-31-18(12-30)22(26-23(31)14-4-5-14)16-6-7-17-19(20(16)24)21(27-29(17)3)15-10-25-28(2)11-15/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3
InChIKeyMHZSMPFLAKRWCN-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.22
Rot. Bonds3

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

1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530464) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530464
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CC3)nc(-c3ccc4c(c(-c5cnn(C)c5)nn4C)c3F)c2C1
InChIInChI=1S/C23H24FN7O/c1-13(32)30-8-9-31-18(12-30)22(26-23(31)14-4-5-14)16-6-7-17-19(20(16)24)21(27-29(17)3)15-10-25-28(2)11-15/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3
InChIKeyMHZSMPFLAKRWCN-UHFFFAOYSA-N
XLogP3.22
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-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-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530464) is 1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CC3)nc(-c3ccc4c(c(-c5cnn(C)c5)nn4C)c3F)c2C1.
What is the InChIKey of 1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is MHZSMPFLAKRWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-13(32)30-8-9-31-18(12-30)22(26-23(31)14-4-5-14)16-6-7-17-19(20(16)24)21(27-29(17)3)15-10-25-28(2)11-15/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3.
What are the key properties of 1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 433.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).