N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C20H20N6O3 — CID 16804063

IUPACN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O
InChIInChI=1S/C20H20N6O3/c1-11-15(12-7-5-6-8-14(12)23-11)16(27)18(28)24-25-10-21-17-13(19(25)29)9-22-26(17)20(2,3)4/h5-10,23H,1-4H3,(H,24,28)
InChIKeyPHPMIGXEYRQNBB-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.09
Rot. Bonds3

About N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 16804063) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID16804063
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC NameN-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O
InChIInChI=1S/C20H20N6O3/c1-11-15(12-7-5-6-8-14(12)23-11)16(27)18(28)24-25-10-21-17-13(19(25)29)9-22-26(17)20(2,3)4/h5-10,23H,1-4H3,(H,24,28)
InChIKeyPHPMIGXEYRQNBB-UHFFFAOYSA-N
XLogP2.09
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 16804063) is N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)Nn1cnc2c(cnn2C(C)(C)C)c1=O.
What is the InChIKey of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is PHPMIGXEYRQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-11-15(12-7-5-6-8-14(12)23-11)16(27)18(28)24-25-10-21-17-13(19(25)29)9-22-26(17)20(2,3)4/h5-10,23H,1-4H3,(H,24,28).
What are the key properties of N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 392.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 16804063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).