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

C15H29FN6O2 — CID 134577619

IUPAC2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC1CCNCC1NC(=O)C1C(N)N(C)N2CC(F)CNC12
InChIInChI=1S/C15H29FN6O2/c1-3-24-11-4-5-18-7-10(11)20-15(23)12-13(17)21(2)22-8-9(16)6-19-14(12)22/h9-14,18-19H,3-8,17H2,1-2H3,(H,20,23)
InChIKeyXLMUQIJOFQXZJI-UHFFFAOYSA-N
MW344.44 g/mol
LogP-1.80
Rot. Bonds4

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

2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134577619) has the molecular formula C15H29FN6O2 and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134577619
Molecular FormulaC15H29FN6O2
Molecular Weight344.44 g/mol
Exact Mass344.23
IUPAC Name2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC1CCNCC1NC(=O)C1C(N)N(C)N2CC(F)CNC12
InChIInChI=1S/C15H29FN6O2/c1-3-24-11-4-5-18-7-10(11)20-15(23)12-13(17)21(2)22-8-9(16)6-19-14(12)22/h9-14,18-19H,3-8,17H2,1-2H3,(H,20,23)
InChIKeyXLMUQIJOFQXZJI-UHFFFAOYSA-N
XLogP-1.80
TPSA94.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[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-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134577619) is 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOC1CCNCC1NC(=O)C1C(N)N(C)N2CC(F)CNC12.
What is the InChIKey of 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XLMUQIJOFQXZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN6O2/c1-3-24-11-4-5-18-7-10(11)20-15(23)12-13(17)21(2)22-8-9(16)6-19-14(12)22/h9-14,18-19H,3-8,17H2,1-2H3,(H,20,23).
What are the key properties of 2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 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-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134577619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).