N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide

C24H25N7O3 — CID 46098806

IUPACN-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2cnc3ncnn3c2N2CCN(C(=O)Nc3ccccc3OC)CC2)cc1
InChIInChI=1S/C24H25N7O3/c1-33-18-9-7-17(8-10-18)19-15-25-23-26-16-27-31(23)22(19)29-11-13-30(14-12-29)24(32)28-20-5-3-4-6-21(20)34-2/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)
InChIKeyWKYCCIXWFPXYSX-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.16
Rot. Bonds5

About N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide (PubChem CID 46098806) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide
PubChem CID46098806
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2cnc3ncnn3c2N2CCN(C(=O)Nc3ccccc3OC)CC2)cc1
InChIInChI=1S/C24H25N7O3/c1-33-18-9-7-17(8-10-18)19-15-25-23-26-16-27-31(23)22(19)29-11-13-30(14-12-29)24(32)28-20-5-3-4-6-21(20)34-2/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)
InChIKeyWKYCCIXWFPXYSX-UHFFFAOYSA-N
XLogP3.16
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide (CID 46098806) is N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide is COc1ccc(-c2cnc3ncnn3c2N2CCN(C(=O)Nc3ccccc3OC)CC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide?
The InChIKey is WKYCCIXWFPXYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-33-18-9-7-17(8-10-18)19-15-25-23-26-16-27-31(23)22(19)29-11-13-30(14-12-29)24(32)28-20-5-3-4-6-21(20)34-2/h3-10,15-16H,11-14H2,1-2H3,(H,28,32).
What are the key properties of N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide is sourced from PubChem (CID 46098806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).