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

C17H33FN8O — CID 134340034

IUPAC2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1NN(C)CC1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C17H33FN8O/c1-9-12(8-25(2)23-9)11-3-4-20-6-13(11)22-17(27)14-15(19)24-26-7-10(18)5-21-16(14)26/h9-16,20-21,23-24H,3-8,19H2,1-2H3,(H,22,27)
InChIKeyVZBORAYMCXYGOA-UHFFFAOYSA-N
MW384.50 g/mol
LogP-2.48
Rot. Bonds3

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

2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134340034) has the molecular formula C17H33FN8O and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-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-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134340034
Molecular FormulaC17H33FN8O
Molecular Weight384.50 g/mol
Exact Mass384.28
IUPAC Name2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1NN(C)CC1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C17H33FN8O/c1-9-12(8-25(2)23-9)11-3-4-20-6-13(11)22-17(27)14-15(19)24-26-7-10(18)5-21-16(14)26/h9-16,20-21,23-24H,3-8,19H2,1-2H3,(H,22,27)
InChIKeyVZBORAYMCXYGOA-UHFFFAOYSA-N
XLogP-2.48
TPSA109.72 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-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-(1,3-dimethylpyrazolidin-4-yl)piperidin-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-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134340034) is 2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-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-(1,3-dimethylpyrazolidin-4-yl)piperidin-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-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1NN(C)CC1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12.
What is the InChIKey of 2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VZBORAYMCXYGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN8O/c1-9-12(8-25(2)23-9)11-3-4-20-6-13(11)22-17(27)14-15(19)24-26-7-10(18)5-21-16(14)26/h9-16,20-21,23-24H,3-8,19H2,1-2H3,(H,22,27).
What are the key properties of 2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of -2.48, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134340034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).