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

C26H24N6O3 — CID 1187710

IUPAC(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(-c4ccccc4)nn32)c1
InChIInChI=1S/C26H24N6O3/c1-16-22(25(33)29-21-11-7-8-14-27-21)23(19-15-18(34-2)12-13-20(19)35-3)32-26(28-16)30-24(31-32)17-9-5-4-6-10-17/h4-15,23H,1-3H3,(H,27,29,33)(H,28,30,31)/t23-/m0/s1
InChIKeyNOPYCMRZCCNZJT-QHCPKHFHSA-N
MW468.52 g/mol
LogP4.28
Rot. Bonds6

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

(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 1187710) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID1187710
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(-c4ccccc4)nn32)c1
InChIInChI=1S/C26H24N6O3/c1-16-22(25(33)29-21-11-7-8-14-27-21)23(19-15-18(34-2)12-13-20(19)35-3)32-26(28-16)30-24(31-32)17-9-5-4-6-10-17/h4-15,23H,1-3H3,(H,27,29,33)(H,28,30,31)/t23-/m0/s1
InChIKeyNOPYCMRZCCNZJT-QHCPKHFHSA-N
XLogP4.28
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135819286
7-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135609151
7-(2-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135813536
7-(2,5-dimethoxyphenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135778570
7-(2,4-dimethoxyphenyl)-5-methyl-2-(4-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135575534
7-(3,4-dichlorophenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838937
7-(2,5-dimethoxyphenyl)-5-methyl-2-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135761013
7-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135600855
2-(3,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135761040
7-(4-bromophenyl)-5-methyl-N-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4843879
(7S)-N-(4-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992435
2-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135625538

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 1187710) is (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(-c4ccccc4)nn32)c1.
What is the InChIKey of (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NOPYCMRZCCNZJT-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-16-22(25(33)29-21-11-7-8-14-27-21)23(19-15-18(34-2)12-13-20(19)35-3)32-26(28-16)30-24(31-32)17-9-5-4-6-10-17/h4-15,23H,1-3H3,(H,27,29,33)(H,28,30,31)/t23-/m0/s1.
What are the key properties of (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 1187710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).