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

C24H26N6O2 — CID 137247661

IUPAC1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-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)nn2C2CCOC2)C1
InChIInChI=1S/C24H26N6O2/c1-15(31)29-7-5-23-21(13-29)24(27-30(23)18-6-8-32-14-18)20-11-25-22-9-16(3-4-19(20)22)17-10-26-28(2)12-17/h3-4,9-12,18,25H,5-8,13-14H2,1-2H3
InChIKeyVJMYKALJTHINKT-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.30
Rot. Bonds3

About 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-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-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 137247661) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-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-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID137247661
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-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)nn2C2CCOC2)C1
InChIInChI=1S/C24H26N6O2/c1-15(31)29-7-5-23-21(13-29)24(27-30(23)18-6-8-32-14-18)20-11-25-22-9-16(3-4-19(20)22)17-10-26-28(2)12-17/h3-4,9-12,18,25H,5-8,13-14H2,1-2H3
InChIKeyVJMYKALJTHINKT-UHFFFAOYSA-N
XLogP3.30
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-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-(oxolan-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-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 137247661) is 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-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-(oxolan-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-(oxolan-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)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is VJMYKALJTHINKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15(31)29-7-5-23-21(13-29)24(27-30(23)18-6-8-32-14-18)20-11-25-22-9-16(3-4-19(20)22)17-10-26-28(2)12-17/h3-4,9-12,18,25H,5-8,13-14H2,1-2H3.
What are the key properties of 1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-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-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 430.51 g/mol, XLogP of 3.30, 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-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 137247661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).