1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one

C17H26N4O2 — CID 46075105

IUPAC1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCc2[nH]nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C17H26N4O2/c1-2-3-4-7-15(22)21-11-8-14-13(12-21)16(19-18-14)17(23)20-9-5-6-10-20/h2-12H2,1H3,(H,18,19)
InChIKeyRVVBHKRDMJBQHO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.11
Rot. Bonds5

About 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one

1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one (PubChem CID 46075105) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one.

Molecular Properties

Compound Name1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one
PubChem CID46075105
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCc2[nH]nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C17H26N4O2/c1-2-3-4-7-15(22)21-11-8-14-13(12-21)16(19-18-14)17(23)20-9-5-6-10-20/h2-12H2,1H3,(H,18,19)
InChIKeyRVVBHKRDMJBQHO-UHFFFAOYSA-N
XLogP2.11
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one 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-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one?
The IUPAC name of 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one (CID 46075105) is 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one.
What is the SMILES notation for 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one?
The canonical SMILES for 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one is CCCCCC(=O)N1CCc2[nH]nc(C(=O)N3CCCC3)c2C1.
What is the InChIKey of 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one?
The InChIKey is RVVBHKRDMJBQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-3-4-7-15(22)21-11-8-14-13(12-21)16(19-18-14)17(23)20-9-5-6-10-20/h2-12H2,1H3,(H,18,19).
What are the key properties of 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one?
1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one has a molecular weight of 318.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]hexan-1-one is sourced from PubChem (CID 46075105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).