8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide

C49H49N9O4 — CID 157224163

IUPAC8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide
SMILESOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.[H]/N=C(\N)CCCCc1nc(-c2c[nH]c3ccccc23)cn2c(O)c([C@@H](C)CC)nc12
InChIInChI=1S/C26H21N3O3.C23H28N6O/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17;1-3-14(2)21-23(30)29-13-19(16-12-26-17-9-5-4-8-15(16)17)27-18(22(29)28-21)10-6-7-11-20(24)25/h1-13,16,30-32H,14-15H2;4-5,8-9,12-14,26,30H,3,6-7,10-11H2,1-2H3,(H3,24,25)/t;14-/m.0/s1
InChIKeyXBHJHMPDNKRQGH-SYHXRIJYSA-N
MW827.99 g/mol
LogP9.44
Rot. Bonds13

About 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide

8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide (PubChem CID 157224163) has the molecular formula C49H49N9O4 and a molecular weight of 827.99 g/mol. Its IUPAC name is 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide.

Molecular Properties

Compound Name8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide
PubChem CID157224163
Molecular FormulaC49H49N9O4
Molecular Weight827.99 g/mol
Exact Mass827.39
IUPAC Name8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide
SMILESOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.[H]/N=C(\N)CCCCc1nc(-c2c[nH]c3ccccc23)cn2c(O)c([C@@H](C)CC)nc12
InChIInChI=1S/C26H21N3O3.C23H28N6O/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17;1-3-14(2)21-23(30)29-13-19(16-12-26-17-9-5-4-8-15(16)17)27-18(22(29)28-21)10-6-7-11-20(24)25/h1-13,16,30-32H,14-15H2;4-5,8-9,12-14,26,30H,3,6-7,10-11H2,1-2H3,(H3,24,25)/t;14-/m.0/s1
InChIKeyXBHJHMPDNKRQGH-SYHXRIJYSA-N
XLogP9.44
TPSA206.96 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500827.99
LogP ≤ 59.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

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'}

Analyze 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-phenyl-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenol
CID 137638482
4-[2-[(1R,3R)-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-1H-imidazol-5-yl]phenol
CID 127030227
4-[3-(1H-imidazol-2-yl)-1H-indol-2-yl]phenol
CID 136068388
5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridin-3-ol
CID 145996004
Cypridina luciferin(1+)
CID 135926582
5-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]purin-2-yl]pyridin-3-ol
CID 44155793
3-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]-1H-indol-6-ol
CID 46216377
6-(3,6-dihydro-2H-pyran-4-yl)-5-[9-[1-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]purin-2-yl]pyridin-3-ol
CID 68941091
5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrole-2,3-diol
CID 91252044
4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenol;N-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine
CID 162006144
4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 137154130
8-benzyl-2-[[4-[9-[[(E)-but-2-en-2-yl]amino]nonyl]-3-fluorocyclohexa-1,3-dien-1-yl]methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 153358820

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide?
The IUPAC name of 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide (CID 157224163) is 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide.
What is the SMILES notation for 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide?
The canonical SMILES for 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide is Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.[H]/N=C(\N)CCCCc1nc(-c2c[nH]c3ccccc23)cn2c(O)c([C@@H](C)CC)nc12.
What is the InChIKey of 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide?
The InChIKey is XBHJHMPDNKRQGH-SYHXRIJYSA-N. The full InChI is InChI=1S/C26H21N3O3.C23H28N6O/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17;1-3-14(2)21-23(30)29-13-19(16-12-26-17-9-5-4-8-15(16)17)27-18(22(29)28-21)10-6-7-11-20(24)25/h1-13,16,30-32H,14-15H2;4-5,8-9,12-14,26,30H,3,6-7,10-11H2,1-2H3,(H3,24,25)/t;14-/m.0/s1.
What are the key properties of 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide?
8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide has a molecular weight of 827.99 g/mol, XLogP of 9.44, 13 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;5-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]pentanimidamide is sourced from PubChem (CID 157224163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).