2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide

C18H20N10O — CID 155536886

IUPAC2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3[nH]nc4ncccc34)CC2)n2ncnc2n1
InChIInChI=1S/C18H20N10O/c1-12-9-15(28-18(22-12)20-11-21-28)27-7-5-26(6-8-27)10-14(29)23-17-13-3-2-4-19-16(13)24-25-17/h2-4,9,11H,5-8,10H2,1H3,(H2,19,23,24,25,29)
InChIKeyKSQYZELCKVEQEJ-UHFFFAOYSA-N
MW392.43 g/mol
LogP0.46
Rot. Bonds4

About 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide

2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (PubChem CID 155536886) has the molecular formula C18H20N10O and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
PubChem CID155536886
Molecular FormulaC18H20N10O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3[nH]nc4ncccc34)CC2)n2ncnc2n1
InChIInChI=1S/C18H20N10O/c1-12-9-15(28-18(22-12)20-11-21-28)27-7-5-26(6-8-27)10-14(29)23-17-13-3-2-4-19-16(13)24-25-17/h2-4,9,11H,5-8,10H2,1H3,(H2,19,23,24,25,29)
InChIKeyKSQYZELCKVEQEJ-UHFFFAOYSA-N
XLogP0.46
TPSA120.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (CID 155536886) is 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is Cc1cc(N2CCN(CC(=O)Nc3[nH]nc4ncccc34)CC2)n2ncnc2n1.
What is the InChIKey of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The InChIKey is KSQYZELCKVEQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N10O/c1-12-9-15(28-18(22-12)20-11-21-28)27-7-5-26(6-8-27)10-14(29)23-17-13-3-2-4-19-16(13)24-25-17/h2-4,9,11H,5-8,10H2,1H3,(H2,19,23,24,25,29).
What are the key properties of 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide has a molecular weight of 392.43 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 155536886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).