1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C15H25N5O2 — CID 82585530

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCOCC2)c2c1CCNC2
InChIInChI=1S/C15H25N5O2/c1-19-13-3-5-16-11-12(13)14(18-19)15(21)17-4-2-6-20-7-9-22-10-8-20/h16H,2-11H2,1H3,(H,17,21)
InChIKeyAISBUGFJDUBJDV-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.48
Rot. Bonds5

About 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 82585530) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID82585530
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCOCC2)c2c1CCNC2
InChIInChI=1S/C15H25N5O2/c1-19-13-3-5-16-11-12(13)14(18-19)15(21)17-4-2-6-20-7-9-22-10-8-20/h16H,2-11H2,1H3,(H,17,21)
InChIKeyAISBUGFJDUBJDV-UHFFFAOYSA-N
XLogP-0.48
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 82585530) is 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCCCN2CCOCC2)c2c1CCNC2.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is AISBUGFJDUBJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-19-13-3-5-16-11-12(13)14(18-19)15(21)17-4-2-6-20-7-9-22-10-8-20/h16H,2-11H2,1H3,(H,17,21).
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 82585530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).