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

C16H29N7O2 — CID 134339667

IUPAC2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CCN(C)CC1NC(=O)C1C(N)NN2CC(CC#N)CNC12
InChIInChI=1S/C16H29N7O2/c1-22-6-4-12(25-2)11(9-22)20-16(24)13-14(18)21-23-8-10(3-5-17)7-19-15(13)23/h10-15,19,21H,3-4,6-9,18H2,1-2H3,(H,20,24)
InChIKeyPOTRIFCZKZMPRE-UHFFFAOYSA-N
MW351.46 g/mol
LogP-2.00
Rot. Bonds4

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

2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134339667) has the molecular formula C16H29N7O2 and a molecular weight of 351.46 g/mol. Its IUPAC name is 2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-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-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134339667
Molecular FormulaC16H29N7O2
Molecular Weight351.46 g/mol
Exact Mass351.24
IUPAC Name2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CCN(C)CC1NC(=O)C1C(N)NN2CC(CC#N)CNC12
InChIInChI=1S/C16H29N7O2/c1-22-6-4-12(25-2)11(9-22)20-16(24)13-14(18)21-23-8-10(3-5-17)7-19-15(13)23/h10-15,19,21H,3-4,6-9,18H2,1-2H3,(H,20,24)
InChIKeyPOTRIFCZKZMPRE-UHFFFAOYSA-N
XLogP-2.00
TPSA118.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643883
2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643739
2-amino-6-chloro-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130279923
2-amino-6-fluoro-N-[5-methoxy-4-(3-methylimidazolidin-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133382
2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643746
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-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-(1,3-dimethylpyrazolidin-4-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340034
2-(4-amino-1-methylpiperidin-3-yl)acetonitrile
CID 105429954
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-[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-(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-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-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134339667) is 2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-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-methoxy-1-methylpiperidin-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-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1CCN(C)CC1NC(=O)C1C(N)NN2CC(CC#N)CNC12.
What is the InChIKey of 2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is POTRIFCZKZMPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7O2/c1-22-6-4-12(25-2)11(9-22)20-16(24)13-14(18)21-23-8-10(3-5-17)7-19-15(13)23/h10-15,19,21H,3-4,6-9,18H2,1-2H3,(H,20,24).
What are the key properties of 2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 351.46 g/mol, XLogP of -2.00, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethyl)-N-(4-methoxy-1-methylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134339667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).