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

C20H36N8O2 — CID 140644021

IUPAC2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(OC2CCNCC2NC(=O)C2C(N)NN3CC(CC#N)CNC23)CC1
InChIInChI=1S/C20H36N8O2/c1-27-8-4-14(5-9-27)30-16-3-7-23-11-15(16)25-20(29)17-18(22)26-28-12-13(2-6-21)10-24-19(17)28/h13-19,23-24,26H,2-5,7-12,22H2,1H3,(H,25,29)
InChIKeyBTWQKDHPFPLHRA-UHFFFAOYSA-N
MW420.56 g/mol
LogP-1.88
Rot. Bonds5

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

2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140644021) has the molecular formula C20H36N8O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140644021
Molecular FormulaC20H36N8O2
Molecular Weight420.56 g/mol
Exact Mass420.30
IUPAC Name2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(OC2CCNCC2NC(=O)C2C(N)NN3CC(CC#N)CNC23)CC1
InChIInChI=1S/C20H36N8O2/c1-27-8-4-14(5-9-27)30-16-3-7-23-11-15(16)25-20(29)17-18(22)26-28-12-13(2-6-21)10-24-19(17)28/h13-19,23-24,26H,2-5,7-12,22H2,1H3,(H,25,29)
InChIKeyBTWQKDHPFPLHRA-UHFFFAOYSA-N
XLogP-1.88
TPSA130.71 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 5-1.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-4-methyl-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133110
2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133725
2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134339736
2-amino-6-fluoro-N-[4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577892
2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643717
2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643719
2-amino-6-fluoro-N-[4-(4-methoxypiperidin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643736
2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643745
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-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643767
2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643769
2-amino-6-fluoro-N-[4-[4-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643781

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140644021) is 2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(OC2CCNCC2NC(=O)C2C(N)NN3CC(CC#N)CNC23)CC1.
What is the InChIKey of 2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BTWQKDHPFPLHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N8O2/c1-27-8-4-14(5-9-27)30-16-3-7-23-11-15(16)25-20(29)17-18(22)26-28-12-13(2-6-21)10-24-19(17)28/h13-19,23-24,26H,2-5,7-12,22H2,1H3,(H,25,29).
What are the key properties of 2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of -1.88, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethyl)-N-[4-(1-methylpiperidin-4-yl)oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140644021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).