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

C19H33N7O2 — CID 140643760

IUPAC2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CCC1CNC2C(C(=O)NC3CNCCC3OC3CCCC3)C(N)NN2C1
InChIInChI=1S/C19H33N7O2/c20-7-5-12-9-23-18-16(17(21)25-26(18)11-12)19(27)24-14-10-22-8-6-15(14)28-13-3-1-2-4-13/h12-18,22-23,25H,1-6,8-11,21H2,(H,24,27)
InChIKeyJDEQFZMCXJEXLJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP-1.03
Rot. Bonds5

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

2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643760) has the molecular formula C19H33N7O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643760
Molecular FormulaC19H33N7O2
Molecular Weight391.52 g/mol
Exact Mass391.27
IUPAC Name2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CCC1CNC2C(C(=O)NC3CNCCC3OC3CCCC3)C(N)NN2C1
InChIInChI=1S/C19H33N7O2/c20-7-5-12-9-23-18-16(17(21)25-26(18)11-12)19(27)24-14-10-22-8-6-15(14)28-13-3-1-2-4-13/h12-18,22-23,25H,1-6,8-11,21H2,(H,24,27)
InChIKeyJDEQFZMCXJEXLJ-UHFFFAOYSA-N
XLogP-1.03
TPSA127.47 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 5-1.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643760) is 2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-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-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is N#CCC1CNC2C(C(=O)NC3CNCCC3OC3CCCC3)C(N)NN2C1.
What is the InChIKey of 2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JDEQFZMCXJEXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O2/c20-7-5-12-9-23-18-16(17(21)25-26(18)11-12)19(27)24-14-10-22-8-6-15(14)28-13-3-1-2-4-13/h12-18,22-23,25H,1-6,8-11,21H2,(H,24,27).
What are the key properties of 2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of -1.03, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethyl)-N-(4-cyclopentyloxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).