2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C22H20N6O2 — CID 990367

IUPAC2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1NC(=O)CN1CCc2ccccc21
InChIInChI=1S/C22H20N6O2/c1-15-24-21-18(13-23-28(21)17-8-3-2-4-9-17)22(30)27(15)25-20(29)14-26-12-11-16-7-5-6-10-19(16)26/h2-10,13H,11-12,14H2,1H3,(H,25,29)
InChIKeyTUYIYBQRPQWHJT-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.02
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 990367) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID990367
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1NC(=O)CN1CCc2ccccc21
InChIInChI=1S/C22H20N6O2/c1-15-24-21-18(13-23-28(21)17-8-3-2-4-9-17)22(30)27(15)25-20(29)14-26-12-11-16-7-5-6-10-19(16)26/h2-10,13H,11-12,14H2,1H3,(H,25,29)
InChIKeyTUYIYBQRPQWHJT-UHFFFAOYSA-N
XLogP2.02
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 990367) is 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1NC(=O)CN1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is TUYIYBQRPQWHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-15-24-21-18(13-23-28(21)17-8-3-2-4-9-17)22(30)27(15)25-20(29)14-26-12-11-16-7-5-6-10-19(16)26/h2-10,13H,11-12,14H2,1H3,(H,25,29).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 990367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).