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

C17H32FN7O — CID 134340040

IUPAC2-amino-6-fluoro-N-(4-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CCCCN1
InChIInChI=1S/C17H32FN7O/c18-10-7-22-16-14(15(19)24-25(16)9-10)17(26)23-13-8-20-6-4-11(13)12-3-1-2-5-21-12/h10-16,20-22,24H,1-9,19H2,(H,23,26)
InChIKeyOFFKRIOTLYHYSU-UHFFFAOYSA-N
MW369.49 g/mol
LogP-1.79
Rot. Bonds3

About 2-amino-6-fluoro-N-(4-piperidin-2-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-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134340040) 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-2-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-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134340040
Molecular FormulaC17H32FN7O
Molecular Weight369.49 g/mol
Exact Mass369.27
IUPAC Name2-amino-6-fluoro-N-(4-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CCCCN1
InChIInChI=1S/C17H32FN7O/c18-10-7-22-16-14(15(19)24-25(16)9-10)17(26)23-13-8-20-6-4-11(13)12-3-1-2-5-21-12/h10-16,20-22,24H,1-9,19H2,(H,23,26)
InChIKeyOFFKRIOTLYHYSU-UHFFFAOYSA-N
XLogP-1.79
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 ≤ 5-1.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(4-piperidin-2-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-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134340040) is 2-amino-6-fluoro-N-(4-piperidin-2-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-2-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-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1C1CCCCN1.
What is the InChIKey of 2-amino-6-fluoro-N-(4-piperidin-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OFFKRIOTLYHYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN7O/c18-10-7-22-16-14(15(19)24-25(16)9-10)17(26)23-13-8-20-6-4-11(13)12-3-1-2-5-21-12/h10-16,20-22,24H,1-9,19H2,(H,23,26).
What are the key properties of 2-amino-6-fluoro-N-(4-piperidin-2-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-2-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 -1.79, 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-2-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134340040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).