4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide

C18H22N10O — CID 165414964

IUPAC4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1c(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)cnn1C
InChIInChI=1S/C18H22N10O/c1-10-8-20-11(2)17-22-13(24-28(10)17)6-7-14-23-16(25-26(14)4)12-9-21-27(5)15(12)18(29)19-3/h8-9H,6-7H2,1-5H3,(H,19,29)
InChIKeyPVCMHTSBTLXLQA-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.41
Rot. Bonds5

About 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide

4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 165414964) has the molecular formula C18H22N10O and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide
PubChem CID165414964
Molecular FormulaC18H22N10O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1c(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)cnn1C
InChIInChI=1S/C18H22N10O/c1-10-8-20-11(2)17-22-13(24-28(10)17)6-7-14-23-16(25-26(14)4)12-9-21-27(5)15(12)18(29)19-3/h8-9H,6-7H2,1-5H3,(H,19,29)
InChIKeyPVCMHTSBTLXLQA-UHFFFAOYSA-N
XLogP0.41
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide with MolForge

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Related Compounds

US10155765, Example 31
CID 121493987
cyclopropyl-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 90168602
1-[(3S)-3-[[9-ethyl-8-(1-ethyl-5-methylpyrazol-4-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168822
4-[[8-(1-Ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]-1-(2-methylpropyl)pyrrolidin-2-one
CID 90158408
1-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168772
1-[(3S)-3-[[9-cyclopropyl-8-(1-ethyl-5-methylpyrazol-4-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168821
1-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-propylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168847
1-[(3R)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168935
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181623
8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253695

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide (CID 165414964) is 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1c(-c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)n2)cnn1C.
What is the InChIKey of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is PVCMHTSBTLXLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N10O/c1-10-8-20-11(2)17-22-13(24-28(10)17)6-7-14-23-16(25-26(14)4)12-9-21-27(5)15(12)18(29)19-3/h8-9H,6-7H2,1-5H3,(H,19,29).
What are the key properties of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide?
4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 165414964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).