7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole

C53H45N13O — CID 137088871

IUPAC7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole
SMILESCc1cn(-c2cccc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7cccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(OC%12CCCCC%12)c%11)cc9%10)cc78)cn6)cc(-c6cnn(C)c6)cc45)cc23)cn1
InChIInChI=1S/C53H45N13O/c1-31-26-65(29-55-31)49-12-6-10-44-40(49)22-48(59-44)53-43-20-33(36-24-57-64(2)27-36)16-34(51(43)61-63-53)17-37-28-66(30-56-37)50-13-7-11-45-41(50)21-47(58-45)52-42-19-32(14-15-46(42)60-62-52)35-18-39(25-54-23-35)67-38-8-4-3-5-9-38/h6-7,10-16,18-30,38,58-59H,3-5,8-9,17H2,1-2H3,(H,60,62)(H,61,63)
InChIKeyUQQKIVDBEXFGHW-UHFFFAOYSA-N
MW880.03 g/mol
LogP11.18
Rot. Bonds10

About 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole

7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole (PubChem CID 137088871) has the molecular formula C53H45N13O and a molecular weight of 880.03 g/mol. Its IUPAC name is 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole.

Molecular Properties

Compound Name7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole
PubChem CID137088871
Molecular FormulaC53H45N13O
Molecular Weight880.03 g/mol
Exact Mass879.39
IUPAC Name7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole
SMILESCc1cn(-c2cccc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7cccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(OC%12CCCCC%12)c%11)cc9%10)cc78)cn6)cc(-c6cnn(C)c6)cc45)cc23)cn1
InChIInChI=1S/C53H45N13O/c1-31-26-65(29-55-31)49-12-6-10-44-40(49)22-48(59-44)53-43-20-33(36-24-57-64(2)27-36)16-34(51(43)61-63-53)17-37-28-66(30-56-37)50-13-7-11-45-41(50)21-47(58-45)52-42-19-32(14-15-46(42)60-62-52)35-18-39(25-54-23-35)67-38-8-4-3-5-9-38/h6-7,10-16,18-30,38,58-59H,3-5,8-9,17H2,1-2H3,(H,60,62)(H,61,63)
InChIKeyUQQKIVDBEXFGHW-UHFFFAOYSA-N
XLogP11.18
TPSA164.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.03
LogP ≤ 511.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole?
The IUPAC name of 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole (CID 137088871) is 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole.
What is the SMILES notation for 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole?
The canonical SMILES for 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole is Cc1cn(-c2cccc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7cccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(OC%12CCCCC%12)c%11)cc9%10)cc78)cn6)cc(-c6cnn(C)c6)cc45)cc23)cn1.
What is the InChIKey of 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole?
The InChIKey is UQQKIVDBEXFGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N13O/c1-31-26-65(29-55-31)49-12-6-10-44-40(49)22-48(59-44)53-43-20-33(36-24-57-64(2)27-36)16-34(51(43)61-63-53)17-37-28-66(30-56-37)50-13-7-11-45-41(50)21-47(58-45)52-42-19-32(14-15-46(42)60-62-52)35-18-39(25-54-23-35)67-38-8-4-3-5-9-38/h6-7,10-16,18-30,38,58-59H,3-5,8-9,17H2,1-2H3,(H,60,62)(H,61,63).
What are the key properties of 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole?
7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole has a molecular weight of 880.03 g/mol, XLogP of 11.18, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]imidazol-4-yl]methyl]-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole is sourced from PubChem (CID 137088871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).