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

C25H20ClN5O2 — CID 3383115

IUPAC2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccc(O)c2)n2nc(-c3ccccc3Cl)nc2N1
InChIInChI=1S/C25H20ClN5O2/c1-15-21(24(33)28-17-9-3-2-4-10-17)22(16-8-7-11-18(32)14-16)31-25(27-15)29-23(30-31)19-12-5-6-13-20(19)26/h2-14,22,32H,1H3,(H,28,33)(H,27,29,30)
InChIKeyPMESVKANXDBBQP-UHFFFAOYSA-N
MW457.92 g/mol
LogP5.23
Rot. Bonds4

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

2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3383115) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3383115
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC Name2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccc(O)c2)n2nc(-c3ccccc3Cl)nc2N1
InChIInChI=1S/C25H20ClN5O2/c1-15-21(24(33)28-17-9-3-2-4-10-17)22(16-8-7-11-18(32)14-16)31-25(27-15)29-23(30-31)19-12-5-6-13-20(19)26/h2-14,22,32H,1H3,(H,28,33)(H,27,29,30)
InChIKeyPMESVKANXDBBQP-UHFFFAOYSA-N
XLogP5.23
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.92
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Chlorophenyl)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4050484
2-(4-Chlorophenyl)-7-(4-methoxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4565188
2-(4-chlorophenyl)-7-(4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 5053507
2-(2-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4306385
N-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410517
7-(3-Methoxyphenyl)-5-methyl-N,2-diphenyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4442783
7-(2-Chlorophenyl)-2-(3-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135515060
2-(2-Chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4115739
7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2790859
2-(2-chlorophenyl)-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CID 4078698
2-(3-chlorophenyl)-9-(3-hydroxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
CID 4125982
2-(2-chlorophenyl)-7-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4142418

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3383115) is 2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccc(O)c2)n2nc(-c3ccccc3Cl)nc2N1.
What is the InChIKey of 2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is PMESVKANXDBBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c1-15-21(24(33)28-17-9-3-2-4-10-17)22(16-8-7-11-18(32)14-16)31-25(27-15)29-23(30-31)19-12-5-6-13-20(19)26/h2-14,22,32H,1H3,(H,28,33)(H,27,29,30).
What are the key properties of 2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3383115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).