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

C26H24N6O4 — CID 136883040

IUPAC(7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC
InChIInChI=1S/C26H24N6O4/c1-15-22(25(34)29-18-5-4-12-27-14-18)23(16-6-9-19(33)10-7-16)32-26(28-15)30-24(31-32)17-8-11-20(35-2)21(13-17)36-3/h4-14,23,33H,1-3H3,(H,29,34)(H,28,30,31)/t23-/m1/s1
InChIKeyLQFOZLPIRMNFDF-HSZRJFAPSA-N
MW484.52 g/mol
LogP3.99
Rot. Bonds6

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

(7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 136883040) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is (7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID136883040
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name(7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC
InChIInChI=1S/C26H24N6O4/c1-15-22(25(34)29-18-5-4-12-27-14-18)23(16-6-9-19(33)10-7-16)32-26(28-15)30-24(31-32)17-8-11-20(35-2)21(13-17)36-3/h4-14,23,33H,1-3H3,(H,29,34)(H,28,30,31)/t23-/m1/s1
InChIKeyLQFOZLPIRMNFDF-HSZRJFAPSA-N
XLogP3.99
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(7S)-2-(3,4-dimethoxyphenyl)-5-methyl-N,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761744
7-(4-cyanophenyl)-2-(3,4-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135768885
7-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135618856
2-(3,4-dimethoxyphenyl)-5-methyl-7-(4-nitrophenyl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135618752
2-(3,4-dichlorophenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135593068
2-(4-chlorophenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843183
(7S)-5-methyl-7-phenyl-N-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761746
7-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135618748
2-(3,4-dichlorophenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135779268
2-(3-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135573788
2,7-bis(4-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135575348
2-(3,4-dimethylphenyl)-7-(3-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723334

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 136883040) is (7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC.
What is the InChIKey of (7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LQFOZLPIRMNFDF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-15-22(25(34)29-18-5-4-12-27-14-18)23(16-6-9-19(33)10-7-16)32-26(28-15)30-24(31-32)17-8-11-20(35-2)21(13-17)36-3/h4-14,23,33H,1-3H3,(H,29,34)(H,28,30,31)/t23-/m1/s1.
What are the key properties of (7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136883040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).