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

C24H20N6O2 — CID 135419153

IUPAC2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccccc2)n2nc(-c3ccc(O)cc3)nc2N1
InChIInChI=1S/C24H20N6O2/c1-15-20(23(32)27-18-8-5-13-25-14-18)21(16-6-3-2-4-7-16)30-24(26-15)28-22(29-30)17-9-11-19(31)12-10-17/h2-14,21,31H,1H3,(H,27,32)(H,26,28,29)
InChIKeyUPRSMBNPUDADFD-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.97
Rot. Bonds4

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

2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135419153) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135419153
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccccc2)n2nc(-c3ccc(O)cc3)nc2N1
InChIInChI=1S/C24H20N6O2/c1-15-20(23(32)27-18-8-5-13-25-14-18)21(16-6-3-2-4-7-16)30-24(26-15)28-22(29-30)17-9-11-19(31)12-10-17/h2-14,21,31H,1H3,(H,27,32)(H,26,28,29)
InChIKeyUPRSMBNPUDADFD-UHFFFAOYSA-N
XLogP3.97
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1S)-1-[[6-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73775105
2-(benzylthio)-7-(3-hydroxyphenyl)-5-methyl-N-3-pyridinyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2948168
2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-7-(3-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2948378
2-(4-(dimethylamino)phenyl)-N-(2-methoxyphenyl)-5-methyl-7-(pyridin-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3235849
2-(4-Methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3244785
7-(4-hydroxyphenyl)-5-methyl-N-(2-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4158577
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-(3,4-Dimethoxyphenyl)-7-(2-fluorophenyl)-5-methyl-N-(pyridin-3-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135419149
7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135437075
2-(4-Methoxyphenyl)-5-methyl-7-(pyridin-3-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3244012
2-(3,4-Dimethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-(pyridin-3-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135419150
N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-(2-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2947203

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135419153) is 2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)C(c2ccccc2)n2nc(-c3ccc(O)cc3)nc2N1.
What is the InChIKey of 2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UPRSMBNPUDADFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-15-20(23(32)27-18-8-5-13-25-14-18)21(16-6-3-2-4-7-16)30-24(26-15)28-22(29-30)17-9-11-19(31)12-10-17/h2-14,21,31H,1H3,(H,27,32)(H,26,28,29).
What are the key properties of 2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135419153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).