2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C24H21N5O3 — CID 135419154

IUPAC2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2C1c1ccccc1
InChIInChI=1S/C24H21N5O3/c1-15-20(23(30)26-17-11-6-7-12-18(17)31-2)21(16-9-4-3-5-10-16)29-24(25-15)27-22(28-29)19-13-8-14-32-19/h3-14,21H,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyRQKHWPUWGFWSOZ-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.47
Rot. Bonds5

About 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135419154) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135419154
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2C1c1ccccc1
InChIInChI=1S/C24H21N5O3/c1-15-20(23(30)26-17-11-6-7-12-18(17)31-2)21(16-9-4-3-5-10-16)29-24(25-15)27-22(28-29)19-13-8-14-32-19/h3-14,21H,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyRQKHWPUWGFWSOZ-UHFFFAOYSA-N
XLogP4.47
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135419154) is 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2C1c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RQKHWPUWGFWSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-15-20(23(30)26-17-11-6-7-12-18(17)31-2)21(16-9-4-3-5-10-16)29-24(25-15)27-22(28-29)19-13-8-14-32-19/h3-14,21H,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135419154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).