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

C25H33N7O2 — CID 118067808

IUPAC6-[1-[(2S)-1-methoxypropan-2-yl]-6-(oxan-4-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(C3CCOCC3)cc21
InChIInChI=1S/C25H33N7O2/c1-15(2)26-23-25-30-29-17(4)31(25)13-21(27-23)24-28-20-7-6-19(18-8-10-34-11-9-18)12-22(20)32(24)16(3)14-33-5/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,26,27)/t16-/m0/s1
InChIKeyMOZNGNQUZVYWMT-INIZCTEOSA-N
MW463.59 g/mol
LogP4.37
Rot. Bonds7

About 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(oxan-4-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-(oxan-4-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 118067808) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(oxan-4-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-(oxan-4-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID118067808
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name6-[1-[(2S)-1-methoxypropan-2-yl]-6-(oxan-4-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(C3CCOCC3)cc21
InChIInChI=1S/C25H33N7O2/c1-15(2)26-23-25-30-29-17(4)31(25)13-21(27-23)24-28-20-7-6-19(18-8-10-34-11-9-18)12-22(20)32(24)16(3)14-33-5/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,26,27)/t16-/m0/s1
InChIKeyMOZNGNQUZVYWMT-INIZCTEOSA-N
XLogP4.37
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
CID 155925935
3-(2-benzyl-1H-benzo[d]imidazol-6-yl)-1-((trans)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218685
US9266891, III-19
CID 90161075
6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807
1-ethyl-3-[4-[7-[(3S)-3-ethylmorpholin-4-yl]-1-methylpyrazolo[4,5-d]pyrimidin-5-yl]phenyl]urea
CID 51355620
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720891
US10023576, Example 63
CID 130362847
US10214537, Example 90
CID 130363112
7-[3-(4-Methylpiperazin-1-yl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363418
5-[2-(Oxan-4-yl)pyrazol-3-yl]-7-[3-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 132210002
Benzimidazole deriv. 6
CID 5329406
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N7-(4-methylpyridin-2-yl)-N5-(pyrrolidin-3-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888631

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(oxan-4-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-(oxan-4-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 118067808) is 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(oxan-4-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-(oxan-4-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-(oxan-4-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(C3CCOCC3)cc21.
What is the InChIKey of 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(oxan-4-yl)benzimidazol-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is MOZNGNQUZVYWMT-INIZCTEOSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-15(2)26-23-25-30-29-17(4)31(25)13-21(27-23)24-28-20-7-6-19(18-8-10-34-11-9-18)12-22(20)32(24)16(3)14-33-5/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,26,27)/t16-/m0/s1.
What are the key properties of 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(oxan-4-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-(oxan-4-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 463.59 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2S)-1-methoxypropan-2-yl]-6-(oxan-4-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 118067808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).