7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine

C53H43N11OS2 — CID 137088311

IUPAC7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine
SMILESCc1ccc(-c2cccc3[nH]c(-c4[nH]nc5c(Cc6ccc(-c7cccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(OC%12CCCCC%12)c%11)nc9%10)cc78)s6)cc(-c6cnn(C)c6)nc45)cc23)s1
InChIInChI=1S/C53H43N11OS2/c1-29-14-18-47(66-29)36-10-6-12-41-38(36)24-46(57-41)52-53-49(61-63-52)30(22-44(59-53)32-26-55-64(2)28-32)21-35-15-19-48(67-35)37-11-7-13-42-39(37)23-45(56-42)51-50-43(60-62-51)17-16-40(58-50)31-20-34(27-54-25-31)65-33-8-4-3-5-9-33/h6-7,10-20,22-28,33,56-57H,3-5,8-9,21H2,1-2H3,(H,60,62)(H,61,63)
InChIKeyQMQDUAGCDBBOAN-UHFFFAOYSA-N
MW914.14 g/mol
LogP13.06
Rot. Bonds10

About 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine

7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine (PubChem CID 137088311) has the molecular formula C53H43N11OS2 and a molecular weight of 914.14 g/mol. Its IUPAC name is 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine
PubChem CID137088311
Molecular FormulaC53H43N11OS2
Molecular Weight914.14 g/mol
Exact Mass913.31
IUPAC Name7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine
SMILESCc1ccc(-c2cccc3[nH]c(-c4[nH]nc5c(Cc6ccc(-c7cccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(OC%12CCCCC%12)c%11)nc9%10)cc78)s6)cc(-c6cnn(C)c6)nc45)cc23)s1
InChIInChI=1S/C53H43N11OS2/c1-29-14-18-47(66-29)36-10-6-12-41-38(36)24-46(57-41)52-53-49(61-63-52)30(22-44(59-53)32-26-55-64(2)28-32)21-35-15-19-48(67-35)37-11-7-13-42-39(37)23-45(56-42)51-50-43(60-62-51)17-16-40(58-50)31-20-34(27-54-25-31)65-33-8-4-3-5-9-33/h6-7,10-20,22-28,33,56-57H,3-5,8-9,21H2,1-2H3,(H,60,62)(H,61,63)
InChIKeyQMQDUAGCDBBOAN-UHFFFAOYSA-N
XLogP13.06
TPSA154.66 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.14
LogP ≤ 513.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine (CID 137088311) is 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine is Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5c(Cc6ccc(-c7cccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(OC%12CCCCC%12)c%11)nc9%10)cc78)s6)cc(-c6cnn(C)c6)nc45)cc23)s1.
What is the InChIKey of 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine?
The InChIKey is QMQDUAGCDBBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N11OS2/c1-29-14-18-47(66-29)36-10-6-12-41-38(36)24-46(57-41)52-53-49(61-63-52)30(22-44(59-53)32-26-55-64(2)28-32)21-35-15-19-48(67-35)37-11-7-13-42-39(37)23-45(56-42)51-50-43(60-62-51)17-16-40(58-50)31-20-34(27-54-25-31)65-33-8-4-3-5-9-33/h6-7,10-20,22-28,33,56-57H,3-5,8-9,21H2,1-2H3,(H,60,62)(H,61,63).
What are the key properties of 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine?
7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine has a molecular weight of 914.14 g/mol, XLogP of 13.06, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137088311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).