2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide

C27H30N4O4 — CID 20863744

IUPAC2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)c(OC)c1OC
InChIInChI=1S/C27H30N4O4/c1-17-21(18(2)31-24(29-17)16-22(30-31)19-9-7-6-8-10-19)15-25(32)28-14-13-20-11-12-23(33-3)27(35-5)26(20)34-4/h6-12,16H,13-15H2,1-5H3,(H,28,32)
InChIKeyRZQQCJIWFZVZQY-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.94
Rot. Bonds9

About 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide

2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide (PubChem CID 20863744) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
PubChem CID20863744
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)c(OC)c1OC
InChIInChI=1S/C27H30N4O4/c1-17-21(18(2)31-24(29-17)16-22(30-31)19-9-7-6-8-10-19)15-25(32)28-14-13-20-11-12-23(33-3)27(35-5)26(20)34-4/h6-12,16H,13-15H2,1-5H3,(H,28,32)
InChIKeyRZQQCJIWFZVZQY-UHFFFAOYSA-N
XLogP3.94
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide (CID 20863744) is 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)c(OC)c1OC.
What is the InChIKey of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide?
The InChIKey is RZQQCJIWFZVZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-17-21(18(2)31-24(29-17)16-22(30-31)19-9-7-6-8-10-19)15-25(32)28-14-13-20-11-12-23(33-3)27(35-5)26(20)34-4/h6-12,16H,13-15H2,1-5H3,(H,28,32).
What are the key properties of 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide?
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide has a molecular weight of 474.56 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 20863744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).