ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C20H24N6O2 — CID 56894952

IUPACethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(CN3CCN(c4ncccc4C)CC3)cnc12
InChIInChI=1S/C20H24N6O2/c1-3-28-20(27)17-12-23-26-14-16(11-22-19(17)26)13-24-7-9-25(10-8-24)18-15(2)5-4-6-21-18/h4-6,11-12,14H,3,7-10,13H2,1-2H3
InChIKeyZYUYRCSOKNBYAJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.93
Rot. Bonds5

About ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 56894952) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID56894952
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Nameethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(CN3CCN(c4ncccc4C)CC3)cnc12
InChIInChI=1S/C20H24N6O2/c1-3-28-20(27)17-12-23-26-14-16(11-22-19(17)26)13-24-7-9-25(10-8-24)18-15(2)5-4-6-21-18/h4-6,11-12,14H,3,7-10,13H2,1-2H3
InChIKeyZYUYRCSOKNBYAJ-UHFFFAOYSA-N
XLogP1.93
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 112706669
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 75507252
ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 63309811
1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine
CID 56865842
2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol
CID 70746652
ethyl 5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 122672896
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188
ethyl 6-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 172516976
ethyl 4-(4-benzylpiperazin-1-yl)-8-chloroquinoline-3-carboxylate
CID 43840467
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 56894952) is ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2cc(CN3CCN(c4ncccc4C)CC3)cnc12.
What is the InChIKey of ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ZYUYRCSOKNBYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-3-28-20(27)17-12-23-26-14-16(11-22-19(17)26)13-24-7-9-25(10-8-24)18-15(2)5-4-6-21-18/h4-6,11-12,14H,3,7-10,13H2,1-2H3.
What are the key properties of ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 56894952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).