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

C17H32FN7O — CID 129133413

IUPAC2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CCCNC1
InChIInChI=1S/C17H32FN7O/c18-11-7-22-16-14(15(19)24-25(16)9-11)17(26)23-13-8-21-5-3-12(13)10-2-1-4-20-6-10/h10-16,20-22,24H,1-9,19H2,(H,23,26)
InChIKeyILKDXNZWWAYRSA-UHFFFAOYSA-N
MW369.49 g/mol
LogP-1.93
Rot. Bonds3

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

2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129133413) has the molecular formula C17H32FN7O and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-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-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129133413
Molecular FormulaC17H32FN7O
Molecular Weight369.49 g/mol
Exact Mass369.27
IUPAC Name2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CCCNC1
InChIInChI=1S/C17H32FN7O/c18-11-7-22-16-14(15(19)24-25(16)9-11)17(26)23-13-8-21-5-3-12(13)10-2-1-4-20-6-10/h10-16,20-22,24H,1-9,19H2,(H,23,26)
InChIKeyILKDXNZWWAYRSA-UHFFFAOYSA-N
XLogP-1.93
TPSA106.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 5-1.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-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-(4-piperidin-3-ylpiperidin-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-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129133413) is 2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-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-(4-piperidin-3-ylpiperidin-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-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CCCNC1.
What is the InChIKey of 2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ILKDXNZWWAYRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN7O/c18-11-7-22-16-14(15(19)24-25(16)9-11)17(26)23-13-8-21-5-3-12(13)10-2-1-4-20-6-10/h10-16,20-22,24H,1-9,19H2,(H,23,26).
What are the key properties of 2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of -1.93, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(4-piperidin-3-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129133413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).