N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H24N8O2 — CID 70497127

IUPACN-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(N2CCCC(C#N)C2)n1
InChIInChI=1S/C20H24N8O2/c1-20(2,30)13-27-12-16(18(25-27)26-7-3-5-14(9-21)11-26)24-19(29)15-10-23-28-8-4-6-22-17(15)28/h4,6,8,10,12,14,30H,3,5,7,11,13H2,1-2H3,(H,24,29)
InChIKeyYRQIRKCSLCZSBT-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.69
Rot. Bonds5

About N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497127) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497127
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC NameN-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(N2CCCC(C#N)C2)n1
InChIInChI=1S/C20H24N8O2/c1-20(2,30)13-27-12-16(18(25-27)26-7-3-5-14(9-21)11-26)24-19(29)15-10-23-28-8-4-6-22-17(15)28/h4,6,8,10,12,14,30H,3,5,7,11,13H2,1-2H3,(H,24,29)
InChIKeyYRQIRKCSLCZSBT-UHFFFAOYSA-N
XLogP1.69
TPSA124.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497127) is N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(N2CCCC(C#N)C2)n1.
What is the InChIKey of N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YRQIRKCSLCZSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-20(2,30)13-27-12-16(18(25-27)26-7-3-5-14(9-21)11-26)24-19(29)15-10-23-28-8-4-6-22-17(15)28/h4,6,8,10,12,14,30H,3,5,7,11,13H2,1-2H3,(H,24,29).
What are the key properties of N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).