1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C23H24N6O2 — CID 137250529

IUPAC1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2COC2)C1
InChIInChI=1S/C23H24N6O2/c1-14(30)28-6-5-22-20(11-28)23(26-29(22)17-12-31-13-17)19-9-24-21-7-15(3-4-18(19)21)16-8-25-27(2)10-16/h3-4,7-10,17,24H,5-6,11-13H2,1-2H3
InChIKeyYPEGBOAKIBHLMX-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.91
Rot. Bonds3

About 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 137250529) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID137250529
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2COC2)C1
InChIInChI=1S/C23H24N6O2/c1-14(30)28-6-5-22-20(11-28)23(26-29(22)17-12-31-13-17)19-9-24-21-7-15(3-4-18(19)21)16-8-25-27(2)10-16/h3-4,7-10,17,24H,5-6,11-13H2,1-2H3
InChIKeyYPEGBOAKIBHLMX-UHFFFAOYSA-N
XLogP2.91
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 137250529) is 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2COC2)C1.
What is the InChIKey of 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is YPEGBOAKIBHLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14(30)28-6-5-22-20(11-28)23(26-29(22)17-12-31-13-17)19-9-24-21-7-15(3-4-18(19)21)16-8-25-27(2)10-16/h3-4,7-10,17,24H,5-6,11-13H2,1-2H3.
What are the key properties of 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 416.49 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 137250529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).