1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide

C17H26N6O — CID 51104036

IUPAC1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCNCc2cnc3ccnn3c2)CC1
InChIInChI=1S/C17H26N6O/c18-17(24)15-4-9-22(10-5-15)8-2-1-6-19-11-14-12-20-16-3-7-21-23(16)13-14/h3,7,12-13,15,19H,1-2,4-6,8-11H2,(H2,18,24)
InChIKeyZCEQJGYUAWHELH-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.80
Rot. Bonds8

About 1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide

1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide (PubChem CID 51104036) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide
PubChem CID51104036
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCNCc2cnc3ccnn3c2)CC1
InChIInChI=1S/C17H26N6O/c18-17(24)15-4-9-22(10-5-15)8-2-1-6-19-11-14-12-20-16-3-7-21-23(16)13-14/h3,7,12-13,15,19H,1-2,4-6,8-11H2,(H2,18,24)
InChIKeyZCEQJGYUAWHELH-UHFFFAOYSA-N
XLogP0.80
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.80
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-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide (CID 51104036) is 1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCCNCc2cnc3ccnn3c2)CC1.
What is the InChIKey of 1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide?
The InChIKey is ZCEQJGYUAWHELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c18-17(24)15-4-9-22(10-5-15)8-2-1-6-19-11-14-12-20-16-3-7-21-23(16)13-14/h3,7,12-13,15,19H,1-2,4-6,8-11H2,(H2,18,24).
What are the key properties of 1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide?
1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrazolo[1,5-a]pyrimidin-6-ylmethylamino)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 51104036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).