2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C24H25N5O3 — CID 20953667

IUPAC2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2cc(-c3ccccc3)nn12
InChIInChI=1S/C24H25N5O3/c1-16(2)32-20-11-9-18(10-12-20)14-25-23(30)15-28-24(31)22-13-21(19-7-5-4-6-8-19)27-29(22)17(3)26-28/h4-13,16H,14-15H2,1-3H3,(H,25,30)
InChIKeyGBTOYGWIBVOXQK-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.97
Rot. Bonds7

About 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 20953667) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID20953667
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2cc(-c3ccccc3)nn12
InChIInChI=1S/C24H25N5O3/c1-16(2)32-20-11-9-18(10-12-20)14-25-23(30)15-28-24(31)22-13-21(19-7-5-4-6-8-19)27-29(22)17(3)26-28/h4-13,16H,14-15H2,1-3H3,(H,25,30)
InChIKeyGBTOYGWIBVOXQK-UHFFFAOYSA-N
XLogP2.97
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 20953667) is 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is Cc1nn(CC(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2cc(-c3ccccc3)nn12.
What is the InChIKey of 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is GBTOYGWIBVOXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16(2)32-20-11-9-18(10-12-20)14-25-23(30)15-28-24(31)22-13-21(19-7-5-4-6-8-19)27-29(22)17(3)26-28/h4-13,16H,14-15H2,1-3H3,(H,25,30).
What are the key properties of 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 20953667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).