N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide

C29H26N4O3 — CID 134307713

IUPACN,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide
SMILESCc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C29H26N4O3/c1-19-25(21-14-16-23(17-15-21)36-18-24(34)32(2)3)29(35)33-28(30-19)26(20-10-6-4-7-11-20)27(31-33)22-12-8-5-9-13-22/h4-17,31H,18H2,1-3H3
InChIKeyFZEPIELOCWYAIZ-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.80
Rot. Bonds6

About N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide

N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide (PubChem CID 134307713) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide
PubChem CID134307713
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC NameN,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide
SMILESCc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C29H26N4O3/c1-19-25(21-14-16-23(17-15-21)36-18-24(34)32(2)3)29(35)33-28(30-19)26(20-10-6-4-7-11-20)27(31-33)22-12-8-5-9-13-22/h4-17,31H,18H2,1-3H3
InChIKeyFZEPIELOCWYAIZ-UHFFFAOYSA-N
XLogP4.80
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide (CID 134307713) is N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide is Cc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc(OCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide?
The InChIKey is FZEPIELOCWYAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-19-25(21-14-16-23(17-15-21)36-18-24(34)32(2)3)29(35)33-28(30-19)26(20-10-6-4-7-11-20)27(31-33)22-12-8-5-9-13-22/h4-17,31H,18H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide?
N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide has a molecular weight of 478.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide is sourced from PubChem (CID 134307713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).