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)

C96H102N22O2 — CID 167552953

IUPACbis(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)
SMILESCc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3c[nH]c4ccccc34)n2)c1.Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3c[nH]c4ccccc34)n2)c1.Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3ccc(O)cc3)n2)c1.Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/2C25H26N6.2C23H25N5O/c2*1-16(2)24-29-30-25-22(10-6-7-18-14-27-21-9-5-4-8-20(18)21)28-23(15-31(24)25)19-11-17(3)12-26-13-19;2*1-15(2)22-26-27-23-20(6-4-5-17-7-9-19(29)10-8-17)25-21(14-28(22)23)18-11-16(3)12-24-13-18/h2*4-5,8-9,11-16,27H,6-7,10H2,1-3H3;2*7-15,29H,4-6H2,1-3H3
InChIKeyCQMWIPVYUDXWAT-UHFFFAOYSA-N
MW1596.02 g/mol
LogP19.55
Rot. Bonds24

About 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)

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) (PubChem CID 167552953) has the molecular formula C96H102N22O2 and a molecular weight of 1596.02 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis(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)
PubChem CID167552953
Molecular FormulaC96H102N22O2
Molecular Weight1596.02 g/mol
Exact Mass1594.86
IUPAC Namebis(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)
SMILESCc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3c[nH]c4ccccc34)n2)c1.Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3c[nH]c4ccccc34)n2)c1.Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3ccc(O)cc3)n2)c1.Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/2C25H26N6.2C23H25N5O/c2*1-16(2)24-29-30-25-22(10-6-7-18-14-27-21-9-5-4-8-20(18)21)28-23(15-31(24)25)19-11-17(3)12-26-13-19;2*1-15(2)22-26-27-23-20(6-4-5-17-7-9-19(29)10-8-17)25-21(14-28(22)23)18-11-16(3)12-24-13-18/h2*4-5,8-9,11-16,27H,6-7,10H2,1-3H3;2*7-15,29H,4-6H2,1-3H3
InChIKeyCQMWIPVYUDXWAT-UHFFFAOYSA-N
XLogP19.55
TPSA295.92 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001596.02
LogP ≤ 519.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 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) 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

3-butan-2-yl-N-[2-(1H-indol-3-yl)ethyl]-6-(5-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 157237040
2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine
CID 136823497
N-[2-(1H-indol-3-yl)ethyl]-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142460354
3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole
CID 175489562
2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol
CID 143831830
3-butan-2-yl-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyridin-8-amine;3-butan-2-yl-6-(5-fluoro-3-pyridinyl)-N-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridin-8-amine;3-butan-2-yl-6-(5-isocyano-3-pyridinyl)-N-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridin-8-amine;3-butan-2-yl-N-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-amine
CID 158210658
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-heptyl-1H-indole
CID 15360907
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine
CID 58170630
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole
CID 72926252

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3c[nH]c4ccccc34)n2)c1.Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3c[nH]c4ccccc34)n2)c1.Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3ccc(O)cc3)n2)c1.Cc1cncc(-c2cn3c(C(C)C)nnc3c(CCCc3ccc(O)cc3)n2)c1.
What is the InChIKey of 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)?
The InChIKey is CQMWIPVYUDXWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26N6.2C23H25N5O/c2*1-16(2)24-29-30-25-22(10-6-7-18-14-27-21-9-5-4-8-20(18)21)28-23(15-31(24)25)19-11-17(3)12-26-13-19;2*1-15(2)22-26-27-23-20(6-4-5-17-7-9-19(29)10-8-17)25-21(14-28(22)23)18-11-16(3)12-24-13-18/h2*4-5,8-9,11-16,27H,6-7,10H2,1-3H3;2*7-15,29H,4-6H2,1-3H3.
What are the key properties of 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)?
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) has a molecular weight of 1596.02 g/mol, XLogP of 19.55, 24 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 167552953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).