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

C17H33FN8O — CID 134577850

IUPAC2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(C2NCCN2C)C(NC(=O)C2C(N)NN3CC(F)CNC23)C1
InChIInChI=1S/C17H33FN8O/c1-24-5-3-11(15-20-4-6-25(15)2)12(9-24)22-17(27)13-14(19)23-26-8-10(18)7-21-16(13)26/h10-16,20-21,23H,3-9,19H2,1-2H3,(H,22,27)
InChIKeyQQIZWCBSWQTHFS-UHFFFAOYSA-N
MW384.50 g/mol
LogP-2.73
Rot. Bonds3

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

2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134577850) has the molecular formula C17H33FN8O and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134577850
Molecular FormulaC17H33FN8O
Molecular Weight384.50 g/mol
Exact Mass384.28
IUPAC Name2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(C2NCCN2C)C(NC(=O)C2C(N)NN3CC(F)CNC23)C1
InChIInChI=1S/C17H33FN8O/c1-24-5-3-11(15-20-4-6-25(15)2)12(9-24)22-17(27)13-14(19)23-26-8-10(18)7-21-16(13)26/h10-16,20-21,23H,3-9,19H2,1-2H3,(H,22,27)
InChIKeyQQIZWCBSWQTHFS-UHFFFAOYSA-N
XLogP-2.73
TPSA100.93 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 5-2.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-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-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134577850) is 2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(C2NCCN2C)C(NC(=O)C2C(N)NN3CC(F)CNC23)C1.
What is the InChIKey of 2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QQIZWCBSWQTHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN8O/c1-24-5-3-11(15-20-4-6-25(15)2)12(9-24)22-17(27)13-14(19)23-26-8-10(18)7-21-16(13)26/h10-16,20-21,23H,3-9,19H2,1-2H3,(H,22,27).
What are the key properties of 2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-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 -2.73, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[1-methyl-4-(1-methylimidazolidin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134577850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).