N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine

C17H27N5OS — CID 97413660

About N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine

N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine (PubChem CID 97413660) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine
• PubChem CID: 97413660
• Molecular Formula: C17H27N5OS
• Molecular Weight: 349.50 g/mol
• Exact Mass: 349.19
• IUPAC Name: N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine
• SMILES: CC(C)n1nc(COCCN(C)C)c2c1CN(c1nccs1)CC2
• InChI: InChI=1S/C17H27N5OS/c1-13(2)22-16-11-21(17-18-6-10-24-17)7-5-14(16)15(19-22)12-23-9-8-20(3)4/h6,10,13H,5,7-9,11-12H2,1-4H3
• InChIKey: PCHNRMLCCDSTCS-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 46.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.50
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine?

The IUPAC name of N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine (CID 97413660) is N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine.

What is the SMILES notation for N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine?

The canonical SMILES for N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine is CC(C)n1nc(COCCN(C)C)c2c1CN(c1nccs1)CC2.

What is the InChIKey of N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine?

The InChIKey is PCHNRMLCCDSTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5OS/c1-13(2)22-16-11-21(17-18-6-10-24-17)7-5-14(16)15(19-22)12-23-9-8-20(3)4/h6,10,13H,5,7-9,11-12H2,1-4H3.

What are the key properties of N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine?

N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine has a molecular weight of 349.50 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[1-propan-2-yl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methoxy]ethanamine is sourced from PubChem (CID 97413660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).