6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C25H34N8O2 — CID 118067816

IUPAC6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOC[C@H](C)n1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2ccc(C3CN(C)CCO3)cc21
InChIInChI=1S/C25H34N8O2/c1-15(2)26-23-25-30-29-17(4)32(25)12-20(27-23)24-28-19-8-7-18(22-13-31(5)9-10-35-22)11-21(19)33(24)16(3)14-34-6/h7-8,11-12,15-16,22H,9-10,13-14H2,1-6H3,(H,26,27)/t16-,22?/m0/s1
InChIKeyCXONKJJMKHHKQE-CISYCMJJSA-N
MW478.60 g/mol
LogP3.48
Rot. Bonds7

About 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 118067816) has the molecular formula C25H34N8O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID118067816
Molecular FormulaC25H34N8O2
Molecular Weight478.60 g/mol
Exact Mass478.28
IUPAC Name6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOC[C@H](C)n1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2ccc(C3CN(C)CCO3)cc21
InChIInChI=1S/C25H34N8O2/c1-15(2)26-23-25-30-29-17(4)32(25)12-20(27-23)24-28-19-8-7-18(22-13-31(5)9-10-35-22)11-21(19)33(24)16(3)14-34-6/h7-8,11-12,15-16,22H,9-10,13-14H2,1-6H3,(H,26,27)/t16-,22?/m0/s1
InChIKeyCXONKJJMKHHKQE-CISYCMJJSA-N
XLogP3.48
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 118067816) is 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is COC[C@H](C)n1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2ccc(C3CN(C)CCO3)cc21.
What is the InChIKey of 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is CXONKJJMKHHKQE-CISYCMJJSA-N. The full InChI is InChI=1S/C25H34N8O2/c1-15(2)26-23-25-30-29-17(4)32(25)12-20(27-23)24-28-19-8-7-18(22-13-31(5)9-10-35-22)11-21(19)33(24)16(3)14-34-6/h7-8,11-12,15-16,22H,9-10,13-14H2,1-6H3,(H,26,27)/t16-,22?/m0/s1.
What are the key properties of 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 478.60 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(4-methylmorpholin-2-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 118067816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).