2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C25H32N8O2 — CID 165414853

IUPAC2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOC[C@H]1CCCN1c1nc(CCc2nc3c(C)ncc(C)n3n2)n(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C25H32N8O2/c1-17-14-26-18(2)24-27-22(29-33(17)24)11-12-23-28-25(31-13-5-6-20(31)16-34-3)30-32(23)15-19-7-9-21(35-4)10-8-19/h7-10,14,20H,5-6,11-13,15-16H2,1-4H3/t20-/m1/s1
InChIKeyOMASHQMWOMVLGE-HXUWFJFHSA-N
MW476.59 g/mol
LogP2.79
Rot. Bonds9

About 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 165414853) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID165414853
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOC[C@H]1CCCN1c1nc(CCc2nc3c(C)ncc(C)n3n2)n(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C25H32N8O2/c1-17-14-26-18(2)24-27-22(29-33(17)24)11-12-23-28-25(31-13-5-6-20(31)16-34-3)30-32(23)15-19-7-9-21(35-4)10-8-19/h7-10,14,20H,5-6,11-13,15-16H2,1-4H3/t20-/m1/s1
InChIKeyOMASHQMWOMVLGE-HXUWFJFHSA-N
XLogP2.79
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Related Compounds

3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
US10399985, Example 34
CID 118278242
US10399985, Example 37
CID 118288255
US10399985, Example 38
CID 118288258
US10399985, Example 44
CID 118288272
6-(Cyclopropylmethoxy)-2-(4-ethoxyphenyl)imidazo[1,2-b]pyridazine
CID 11358773
2-[4-(2-Methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
CID 11381836
4-[2-[4-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11419123
3-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
CID 42634049
1-(2,3-dihydro-benzofuran-5-ylmethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazine
CID 59341790

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 165414853) is 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is COC[C@H]1CCCN1c1nc(CCc2nc3c(C)ncc(C)n3n2)n(Cc2ccc(OC)cc2)n1.
What is the InChIKey of 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is OMASHQMWOMVLGE-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-17-14-26-18(2)24-27-22(29-33(17)24)11-12-23-28-25(31-13-5-6-20(31)16-34-3)30-32(23)15-19-7-9-21(35-4)10-8-19/h7-10,14,20H,5-6,11-13,15-16H2,1-4H3/t20-/m1/s1.
What are the key properties of 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 476.59 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 165414853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).