2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide

C57H45N13O2 — CID 145252388

IUPAC2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCOc1cncc(-c2ccc3c(c2)c(-c2cc4c(-c5ccccn5)nccc4[nH]2)nn3-c2cccc(-c3nccc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)CC8CCCCC8)c7)cc56)cc34)n2)c1
InChIInChI=1S/C57H45N13O2/c1-72-39-24-37(30-59-32-39)35-14-16-51-43(26-35)57(50-28-41-44(65-50)17-20-61-54(41)47-10-5-6-19-60-47)69-70(51)52-12-7-11-48(66-52)55-42-27-49(64-45(42)18-21-62-55)56-40-25-34(13-15-46(40)67-68-56)36-23-38(31-58-29-36)63-53(71)22-33-8-3-2-4-9-33/h5-7,10-21,23-33,64-65H,2-4,8-9,22H2,1H3,(H,63,71)(H,67,68)
InChIKeyOTDADSSJZISBTP-UHFFFAOYSA-N
MW944.08 g/mol
LogP12.15
Rot. Bonds11

About 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide

2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 145252388) has the molecular formula C57H45N13O2 and a molecular weight of 944.08 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
PubChem CID145252388
Molecular FormulaC57H45N13O2
Molecular Weight944.08 g/mol
Exact Mass943.38
IUPAC Name2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCOc1cncc(-c2ccc3c(c2)c(-c2cc4c(-c5ccccn5)nccc4[nH]2)nn3-c2cccc(-c3nccc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)CC8CCCCC8)c7)cc56)cc34)n2)c1
InChIInChI=1S/C57H45N13O2/c1-72-39-24-37(30-59-32-39)35-14-16-51-43(26-35)57(50-28-41-44(65-50)17-20-61-54(41)47-10-5-6-19-60-47)69-70(51)52-12-7-11-48(66-52)55-42-27-49(64-45(42)18-21-62-55)56-40-25-34(13-15-46(40)67-68-56)36-23-38(31-58-29-36)63-53(71)22-33-8-3-2-4-9-33/h5-7,10-21,23-33,64-65H,2-4,8-9,22H2,1H3,(H,63,71)(H,67,68)
InChIKeyOTDADSSJZISBTP-UHFFFAOYSA-N
XLogP12.15
TPSA193.75 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500944.08
LogP ≤ 512.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide with MolForge

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Related Compounds

US10071079, Example 672
CID 132272519
US10071079, Example 670
CID 132272517
US10071079, Example 671
CID 132272518
N-[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]-5-(5-phenoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 89451275
N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89458798
N-[2-(3,3-difluoropyrrolidin-1-yl)pyridin-4-yl]-5-(5-phenoxypyridin-3-yl)-1H-indazole-3-carboxamide
CID 118381335
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136937041
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136937050
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136937053
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 136937068
2-cyclohexyl-N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 136937074
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136937084

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 145252388) is 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is COc1cncc(-c2ccc3c(c2)c(-c2cc4c(-c5ccccn5)nccc4[nH]2)nn3-c2cccc(-c3nccc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)CC8CCCCC8)c7)cc56)cc34)n2)c1.
What is the InChIKey of 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is OTDADSSJZISBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N13O2/c1-72-39-24-37(30-59-32-39)35-14-16-51-43(26-35)57(50-28-41-44(65-50)17-20-61-54(41)47-10-5-6-19-60-47)69-70(51)52-12-7-11-48(66-52)55-42-27-49(64-45(42)18-21-62-55)56-40-25-34(13-15-46(40)67-68-56)36-23-38(31-58-29-36)63-53(71)22-33-8-3-2-4-9-33/h5-7,10-21,23-33,64-65H,2-4,8-9,22H2,1H3,(H,63,71)(H,67,68).
What are the key properties of 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 944.08 g/mol, XLogP of 12.15, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-[3-[4-[6-[5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)indazol-1-yl]-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 145252388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).