7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C24H21N5O3S — CID 3237792

IUPAC7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2C1c1cccc(O)c1
InChIInChI=1S/C24H21N5O3S/c1-14-20(23(31)26-17-9-3-4-10-18(17)32-2)21(15-7-5-8-16(30)13-15)29-24(25-14)27-22(28-29)19-11-6-12-33-19/h3-13,21,30H,1-2H3,(H,26,31)(H,25,27,28)
InChIKeyHJZTXUQRXCUQRD-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.65
Rot. Bonds5

About 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3237792) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3237792
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Name7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2C1c1cccc(O)c1
InChIInChI=1S/C24H21N5O3S/c1-14-20(23(31)26-17-9-3-4-10-18(17)32-2)21(15-7-5-8-16(30)13-15)29-24(25-14)27-22(28-29)19-11-6-12-33-19/h3-13,21,30H,1-2H3,(H,26,31)(H,25,27,28)
InChIKeyHJZTXUQRXCUQRD-UHFFFAOYSA-N
XLogP4.65
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3237792) is 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2C1c1cccc(O)c1.
What is the InChIKey of 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HJZTXUQRXCUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-14-20(23(31)26-17-9-3-4-10-18(17)32-2)21(15-7-5-8-16(30)13-15)29-24(25-14)27-22(28-29)19-11-6-12-33-19/h3-13,21,30H,1-2H3,(H,26,31)(H,25,27,28).
What are the key properties of 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3237792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).