1-[3-[2-methyl-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

C25H28N6O2 — CID 137247659

IUPAC1-[3-[2-methyl-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(C)[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2CCOC2)C1
InChIInChI=1S/C25H28N6O2/c1-15-24(20-5-4-17(10-22(20)27-15)18-11-26-29(3)12-18)25-21-13-30(16(2)32)8-6-23(21)31(28-25)19-7-9-33-14-19/h4-5,10-12,19,27H,6-9,13-14H2,1-3H3
InChIKeyVATNJAXNDGPYQW-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.61
Rot. Bonds3

About 1-[3-[2-methyl-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-[2-methyl-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 137247659) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-[3-[2-methyl-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-[2-methyl-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 CID137247659
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name1-[3-[2-methyl-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(C)[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2CCOC2)C1
InChIInChI=1S/C25H28N6O2/c1-15-24(20-5-4-17(10-22(20)27-15)18-11-26-29(3)12-18)25-21-13-30(16(2)32)8-6-23(21)31(28-25)19-7-9-33-14-19/h4-5,10-12,19,27H,6-9,13-14H2,1-3H3
InChIKeyVATNJAXNDGPYQW-UHFFFAOYSA-N
XLogP3.61
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[2-methyl-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-[2-methyl-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-[2-methyl-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 137247659) is 1-[3-[2-methyl-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-[2-methyl-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-[2-methyl-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(C)[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-[2-methyl-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 VATNJAXNDGPYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-15-24(20-5-4-17(10-22(20)27-15)18-11-26-29(3)12-18)25-21-13-30(16(2)32)8-6-23(21)31(28-25)19-7-9-33-14-19/h4-5,10-12,19,27H,6-9,13-14H2,1-3H3.
What are the key properties of 1-[3-[2-methyl-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-[2-methyl-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 444.54 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methyl-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 137247659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).