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

C23H20N6O2S — CID 135890329

IUPAC(7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1-c1nc2n(n1)[C@H](c1cccs1)C(C(=O)Nc1cccnc1)=C(C)N2
InChIInChI=1S/C23H20N6O2S/c1-14-19(22(30)26-15-7-5-11-24-13-15)20(18-10-6-12-32-18)29-23(25-14)27-21(28-29)16-8-3-4-9-17(16)31-2/h3-13,20H,1-2H3,(H,26,30)(H,25,27,28)/t20-/m1/s1
InChIKeyCXAGXAZSUXSZLQ-HXUWFJFHSA-N
MW444.52 g/mol
LogP4.34
Rot. Bonds5

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

(7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135890329) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135890329
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name(7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1-c1nc2n(n1)[C@H](c1cccs1)C(C(=O)Nc1cccnc1)=C(C)N2
InChIInChI=1S/C23H20N6O2S/c1-14-19(22(30)26-15-7-5-11-24-13-15)20(18-10-6-12-32-18)29-23(25-14)27-21(28-29)16-8-3-4-9-17(16)31-2/h3-13,20H,1-2H3,(H,26,30)(H,25,27,28)/t20-/m1/s1
InChIKeyCXAGXAZSUXSZLQ-HXUWFJFHSA-N
XLogP4.34
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992504
(7R)-2-(2-methoxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136755077
2-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135551237
(7R)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890375
(7R)-7-(2-chlorophenyl)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136883033
(7S)-7-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992484
2-(4-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135847506
2-(4-tert-butylphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135823324
(7R)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135590876
7-(2-methoxyphenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135581046
2-(4-methoxyphenyl)-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135553706
(7R)-2-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136712416

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135890329) is (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1-c1nc2n(n1)[C@H](c1cccs1)C(C(=O)Nc1cccnc1)=C(C)N2.
What is the InChIKey of (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CXAGXAZSUXSZLQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-14-19(22(30)26-15-7-5-11-24-13-15)20(18-10-6-12-32-18)29-23(25-14)27-21(28-29)16-8-3-4-9-17(16)31-2/h3-13,20H,1-2H3,(H,26,30)(H,25,27,28)/t20-/m1/s1.
What are the key properties of (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135890329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).