(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

C25H23N7O3 — CID 136761744

IUPAC(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
SMILESCOc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC
InChIInChI=1S/C25H23N7O3/c1-15-21(24(33)29-18-7-5-11-27-14-18)22(17-6-4-10-26-13-17)32-25(28-15)30-23(31-32)16-8-9-19(34-2)20(12-16)35-3/h4-14,22H,1-3H3,(H,29,33)(H,28,30,31)/t22-/m0/s1
InChIKeySCUZTGIPSKYQLI-QFIPXVFZSA-N
MW469.51 g/mol
LogP3.68
Rot. Bonds6

About (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

(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 (PubChem CID 136761744) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID136761744
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name(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
SMILESCOc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC
InChIInChI=1S/C25H23N7O3/c1-15-21(24(33)29-18-7-5-11-27-14-18)22(17-6-4-10-26-13-17)32-25(28-15)30-23(31-32)16-8-9-19(34-2)20(12-16)35-3/h4-14,22H,1-3H3,(H,29,33)(H,28,30,31)/t22-/m0/s1
InChIKeySCUZTGIPSKYQLI-QFIPXVFZSA-N
XLogP3.68
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Related Compounds

(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
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
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
(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
2-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838907
5-methyl-2-(4-methylphenyl)-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135709910
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
5-methyl-N,2-diphenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4116212
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-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
(7S)-7-(3-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761742
7-(4-ethoxy-3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135814761

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1OC.
What is the InChIKey of (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?
The InChIKey is SCUZTGIPSKYQLI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23N7O3/c1-15-21(24(33)29-18-7-5-11-27-14-18)22(17-6-4-10-26-13-17)32-25(28-15)30-23(31-32)16-8-9-19(34-2)20(12-16)35-3/h4-14,22H,1-3H3,(H,29,33)(H,28,30,31)/t22-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 469.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 136761744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).