6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline

C25H32N6OS — CID 121373492

IUPAC6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline
SMILESCSN1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)ccc43)nn2C2CCOCC2)C1
InChIInChI=1S/C25H32N6OS/c1-28-16-20(15-26-28)18-5-6-23-19(14-18)4-3-10-30(23)25-22-17-29(33-2)11-7-24(22)31(27-25)21-8-12-32-13-9-21/h5-6,14-16,21H,3-4,7-13,17H2,1-2H3
InChIKeyFOGFFULRHVUTDO-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.36
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline

6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline (PubChem CID 121373492) has the molecular formula C25H32N6OS and a molecular weight of 464.64 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline
PubChem CID121373492
Molecular FormulaC25H32N6OS
Molecular Weight464.64 g/mol
Exact Mass464.24
IUPAC Name6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline
SMILESCSN1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)ccc43)nn2C2CCOCC2)C1
InChIInChI=1S/C25H32N6OS/c1-28-16-20(15-26-28)18-5-6-23-19(14-18)4-3-10-30(23)25-22-17-29(33-2)11-7-24(22)31(27-25)21-8-12-32-13-9-21/h5-6,14-16,21H,3-4,7-13,17H2,1-2H3
InChIKeyFOGFFULRHVUTDO-UHFFFAOYSA-N
XLogP4.36
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline 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 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline (CID 121373492) is 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline is CSN1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)ccc43)nn2C2CCOCC2)C1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is FOGFFULRHVUTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6OS/c1-28-16-20(15-26-28)18-5-6-23-19(14-18)4-3-10-30(23)25-22-17-29(33-2)11-7-24(22)31(27-25)21-8-12-32-13-9-21/h5-6,14-16,21H,3-4,7-13,17H2,1-2H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?
6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 464.64 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-1-[5-methylsulfanyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121373492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).