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

C15H28FN7O — CID 129133217

IUPAC2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC2CNCC(NC(=O)C3C(N)NN4CC(F)CNC34)C21
InChIInChI=1S/C15H28FN7O/c1-22-3-2-8-4-18-6-10(12(8)22)20-15(24)11-13(17)21-23-7-9(16)5-19-14(11)23/h8-14,18-19,21H,2-7,17H2,1H3,(H,20,24)
InChIKeyHJJJTAGYKBFNDF-UHFFFAOYSA-N
MW341.44 g/mol
LogP-2.62
Rot. Bonds2

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

2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129133217) has the molecular formula C15H28FN7O and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-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-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129133217
Molecular FormulaC15H28FN7O
Molecular Weight341.44 g/mol
Exact Mass341.23
IUPAC Name2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC2CNCC(NC(=O)C3C(N)NN4CC(F)CNC34)C21
InChIInChI=1S/C15H28FN7O/c1-22-3-2-8-4-18-6-10(12(8)22)20-15(24)11-13(17)21-23-7-9(16)5-19-14(11)23/h8-14,18-19,21H,2-7,17H2,1H3,(H,20,24)
InChIKeyHJJJTAGYKBFNDF-UHFFFAOYSA-N
XLogP-2.62
TPSA97.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 5-2.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-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-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-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-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129133217) is 2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-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-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-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-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC2CNCC(NC(=O)C3C(N)NN4CC(F)CNC34)C21.
What is the InChIKey of 2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HJJJTAGYKBFNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN7O/c1-22-3-2-8-4-18-6-10(12(8)22)20-15(24)11-13(17)21-23-7-9(16)5-19-14(11)23/h8-14,18-19,21H,2-7,17H2,1H3,(H,20,24).
What are the key properties of 2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of -2.62, 2 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-(1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-7-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129133217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).