(5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C20H25N7O — CID 135995844

IUPAC(5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2c2cn(C)nc2C)c(C)c1
InChIInChI=1S/C20H25N7O/c1-11-6-7-16(12(2)8-11)24-19(28)17-14(4)23-20-21-10-22-27(20)18(17)15-9-26(5)25-13(15)3/h6-10,14,17-18H,1-5H3,(H,24,28)(H,21,22,23)/t14-,17+,18+/m0/s1
InChIKeyYPLKRHLKVXCGEZ-BMGDILEWSA-N
MW379.47 g/mol
LogP2.60
Rot. Bonds3

About (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

(5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135995844) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135995844
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name(5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2c2cn(C)nc2C)c(C)c1
InChIInChI=1S/C20H25N7O/c1-11-6-7-16(12(2)8-11)24-19(28)17-14(4)23-20-21-10-22-27(20)18(17)15-9-26(5)25-13(15)3/h6-10,14,17-18H,1-5H3,(H,24,28)(H,21,22,23)/t14-,17+,18+/m0/s1
InChIKeyYPLKRHLKVXCGEZ-BMGDILEWSA-N
XLogP2.60
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135636321
(5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135958863
(5R,6R,7R)-N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135958862
(5S,6S,7R)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135995787
(5S,6R,7R)-N-(2,4-dimethylphenyl)-5-methyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135958917
(5S,6R,7R)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135995839
(5R,6R,7S)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136810464
7-(2-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135880800
(5S,6S,7S)-7-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136828957
(5R,6R,7R)-7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135958827
(5R,6R,7S)-7-(4-ethylphenyl)-5-methyl-N-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135958847
(7R)-N-(2,4-dimethylphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135619474

Frequently Asked Questions

What is the IUPAC name of (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135995844) is (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2c2cn(C)nc2C)c(C)c1.
What is the InChIKey of (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YPLKRHLKVXCGEZ-BMGDILEWSA-N. The full InChI is InChI=1S/C20H25N7O/c1-11-6-7-16(12(2)8-11)24-19(28)17-14(4)23-20-21-10-22-27(20)18(17)15-9-26(5)25-13(15)3/h6-10,14,17-18H,1-5H3,(H,24,28)(H,21,22,23)/t14-,17+,18+/m0/s1.
What are the key properties of (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7S)-N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135995844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).