2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide

C20H25N5O2 — CID 1433616

IUPAC2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)N(C(C)C)C(C)C)cnc32)cc1
InChIInChI=1S/C20H25N5O2/c1-13(2)24(14(3)4)18(26)11-23-12-21-19-17(20(23)27)10-22-25(19)16-8-6-15(5)7-9-16/h6-10,12-14H,11H2,1-5H3
InChIKeyGIEYWQSLJVESJG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide

2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 1433616) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID1433616
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)N(C(C)C)C(C)C)cnc32)cc1
InChIInChI=1S/C20H25N5O2/c1-13(2)24(14(3)4)18(26)11-23-12-21-19-17(20(23)27)10-22-25(19)16-8-6-15(5)7-9-16/h6-10,12-14H,11H2,1-5H3
InChIKeyGIEYWQSLJVESJG-UHFFFAOYSA-N
XLogP2.54
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide (CID 1433616) is 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide is Cc1ccc(-n2ncc3c(=O)n(CC(=O)N(C(C)C)C(C)C)cnc32)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is GIEYWQSLJVESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)24(14(3)4)18(26)11-23-12-21-19-17(20(23)27)10-22-25(19)16-8-6-15(5)7-9-16/h6-10,12-14H,11H2,1-5H3.
What are the key properties of 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide?
2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 1433616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).