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

C17H32FN7O — CID 140643738

IUPAC2-amino-6-fluoro-N-(4-piperidin-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1N1CCCCC1
InChIInChI=1S/C17H32FN7O/c18-11-8-21-16-14(15(19)23-25(16)10-11)17(26)22-12-9-20-5-4-13(12)24-6-2-1-3-7-24/h11-16,20-21,23H,1-10,19H2,(H,22,26)
InChIKeyGLJCMDFYGXJABQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP-1.69
Rot. Bonds3

About 2-amino-6-fluoro-N-(4-piperidin-1-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-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643738) 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-1-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-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643738
Molecular FormulaC17H32FN7O
Molecular Weight369.49 g/mol
Exact Mass369.27
IUPAC Name2-amino-6-fluoro-N-(4-piperidin-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1N1CCCCC1
InChIInChI=1S/C17H32FN7O/c18-11-8-21-16-14(15(19)23-25(16)10-11)17(26)22-12-9-20-5-4-13(12)24-6-2-1-3-7-24/h11-16,20-21,23H,1-10,19H2,(H,22,26)
InChIKeyGLJCMDFYGXJABQ-UHFFFAOYSA-N
XLogP-1.69
TPSA97.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperidin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643838
2-amino-6-fluoro-N-[4-(3-methylsulfonylpiperidin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140644133
2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140800775
2-amino-N-[4-(2-cyclopropylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577653
2-amino-6-fluoro-N-[4-(5-methyl-1,2,4-triazolidin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134339808
2-amino-6-fluoro-N-(5-fluoro-4-piperidin-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643744
2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]piperidin-3-yl]-6-chloro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140644105
N-[4-[(3aR,7aR)-2-methyl-3-oxo-1,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643866
2-amino-6-fluoro-N-[4-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140644141
2-amino-N-[4-[4-[2-(dimethylamino)ethyl]pyrazolidin-1-yl]piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577780
2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643881
2-amino-6-fluoro-N-[4-(3-methylpiperazin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340032

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(4-piperidin-1-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-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643738) is 2-amino-6-fluoro-N-(4-piperidin-1-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-1-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-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1N1CCCCC1.
What is the InChIKey of 2-amino-6-fluoro-N-(4-piperidin-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GLJCMDFYGXJABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN7O/c18-11-8-21-16-14(15(19)23-25(16)10-11)17(26)22-12-9-20-5-4-13(12)24-6-2-1-3-7-24/h11-16,20-21,23H,1-10,19H2,(H,22,26).
What are the key properties of 2-amino-6-fluoro-N-(4-piperidin-1-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-1-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 -1.69, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(4-piperidin-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).