2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine

C21H25N7O — CID 136823497

IUPAC2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine
SMILESCC(C)c1nc2c(CCCN=C(N)N)nc(-c3c[nH]c4ccccc34)cn2c1O
InChIInChI=1S/C21H25N7O/c1-12(2)18-20(29)28-11-17(14-10-25-15-7-4-3-6-13(14)15)26-16(19(28)27-18)8-5-9-24-21(22)23/h3-4,6-7,10-12,25,29H,5,8-9H2,1-2H3,(H4,22,23,24)
InChIKeyVHHALVIQHXCKMR-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.91
Rot. Bonds6

About 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine

2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine (PubChem CID 136823497) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine
PubChem CID136823497
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine
SMILESCC(C)c1nc2c(CCCN=C(N)N)nc(-c3c[nH]c4ccccc34)cn2c1O
InChIInChI=1S/C21H25N7O/c1-12(2)18-20(29)28-11-17(14-10-25-15-7-4-3-6-13(14)15)26-16(19(28)27-18)8-5-9-24-21(22)23/h3-4,6-7,10-12,25,29H,5,8-9H2,1-2H3,(H4,22,23,24)
InChIKeyVHHALVIQHXCKMR-UHFFFAOYSA-N
XLogP2.91
TPSA130.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-amino-6-(1H-indol-3-yl)pyrazin-2-yl]propyl]guanidine;2-[3-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine;hydron;(3S)-3-methyl-2-oxopentanal
CID 158697974
2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine
CID 172991348
bis(8-[3-(1H-indol-3-yl)propyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine);bis(4-[3-[6-(5-methyl-3-pyridinyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]propyl]phenol)
CID 167552953
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
2-(1H-indol-3-yl)aniline
CID 25210227
N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide
CID 111108923
2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111108916
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
2-[2-(9H-carbazol-3-yl)ethyl]guanidine
CID 145315534
[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857643

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine?
The IUPAC name of 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine (CID 136823497) is 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine is CC(C)c1nc2c(CCCN=C(N)N)nc(-c3c[nH]c4ccccc34)cn2c1O.
What is the InChIKey of 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine?
The InChIKey is VHHALVIQHXCKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-12(2)18-20(29)28-11-17(14-10-25-15-7-4-3-6-13(14)15)26-16(19(28)27-18)8-5-9-24-21(22)23/h3-4,6-7,10-12,25,29H,5,8-9H2,1-2H3,(H4,22,23,24).
What are the key properties of 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine?
2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine has a molecular weight of 391.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine is sourced from PubChem (CID 136823497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).