1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H28N6O2 — CID 121376818

IUPAC1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1
InChIInChI=1S/C24H28N6O2/c1-16(31)28-8-6-23-21(14-28)24(26-30(23)20-7-10-32-15-20)29-9-5-18-11-17(3-4-22(18)29)19-12-25-27(2)13-19/h3-4,11-13,20H,5-10,14-15H2,1-2H3/t20-/m0/s1
InChIKeyRYJWPUXSUMMTIQ-FQEVSTJZSA-N
MW432.53 g/mol
LogP2.84
Rot. Bonds3

About 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121376818) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121376818
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1
InChIInChI=1S/C24H28N6O2/c1-16(31)28-8-6-23-21(14-28)24(26-30(23)20-7-10-32-15-20)29-9-5-18-11-17(3-4-22(18)29)19-12-25-27(2)13-19/h3-4,11-13,20H,5-10,14-15H2,1-2H3/t20-/m0/s1
InChIKeyRYJWPUXSUMMTIQ-FQEVSTJZSA-N
XLogP2.84
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121376818) is 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1.
What is the InChIKey of 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is RYJWPUXSUMMTIQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16(31)28-8-6-23-21(14-28)24(26-30(23)20-7-10-32-15-20)29-9-5-18-11-17(3-4-22(18)29)19-12-25-27(2)13-19/h3-4,11-13,20H,5-10,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 432.53 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121376818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).