2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H27FN6O2 — CID 129133725

IUPAC2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C14H27FN6O2/c1-2-23-10-3-4-17-6-9(10)19-14(22)11-12(16)20-21-7-8(15)5-18-13(11)21/h8-13,17-18,20H,2-7,16H2,1H3,(H,19,22)
InChIKeyOIXKUMSLKBDLRN-UHFFFAOYSA-N
MW330.41 g/mol
LogP-2.14
Rot. Bonds4

About 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129133725) has the molecular formula C14H27FN6O2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129133725
Molecular FormulaC14H27FN6O2
Molecular Weight330.41 g/mol
Exact Mass330.22
IUPAC Name2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C14H27FN6O2/c1-2-23-10-3-4-17-6-9(10)19-14(22)11-12(16)20-21-7-8(15)5-18-13(11)21/h8-13,17-18,20H,2-7,16H2,1H3,(H,19,22)
InChIKeyOIXKUMSLKBDLRN-UHFFFAOYSA-N
XLogP-2.14
TPSA103.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 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 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129133725) is 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOC1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12.
What is the InChIKey of 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OIXKUMSLKBDLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN6O2/c1-2-23-10-3-4-17-6-9(10)19-14(22)11-12(16)20-21-7-8(15)5-18-13(11)21/h8-13,17-18,20H,2-7,16H2,1H3,(H,19,22).
What are the key properties of 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of -2.14, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129133725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).