N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide

C59H45N13OS2 — CID 137053559

IUPACN-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide
SMILESCCc1cc(NC(=O)c2ccccc2)cc(-c2cc(-c3cc(-c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)nc45)cs3)c3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C59H45N13OS2/c1-2-33-16-38(19-42(18-33)63-59(73)35-8-4-3-5-9-35)39-21-44(52-45(22-39)56(71-69-52)58-65-49-28-61-26-46(53(49)66-58)37-12-15-74-31-37)51-23-41(32-75-51)47-27-62-29-50-54(47)67-57(64-50)55-43-20-36(10-11-48(43)68-70-55)40-17-34(24-60-25-40)30-72-13-6-7-14-72/h3-5,8-12,15-29,31-32H,2,6-7,13-14,30H2,1H3,(H,63,73)(H,64,67)(H,65,66)(H,68,70)(H,69,71)
InChIKeyCGGNZJXMUWFZCB-UHFFFAOYSA-N
MW1016.23 g/mol
LogP13.58
Rot. Bonds12

About N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide

N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide (PubChem CID 137053559) has the molecular formula C59H45N13OS2 and a molecular weight of 1016.23 g/mol. Its IUPAC name is N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide
PubChem CID137053559
Molecular FormulaC59H45N13OS2
Molecular Weight1016.23 g/mol
Exact Mass1015.33
IUPAC NameN-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide
SMILESCCc1cc(NC(=O)c2ccccc2)cc(-c2cc(-c3cc(-c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)nc45)cs3)c3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C59H45N13OS2/c1-2-33-16-38(19-42(18-33)63-59(73)35-8-4-3-5-9-35)39-21-44(52-45(22-39)56(71-69-52)58-65-49-28-61-26-46(53(49)66-58)37-12-15-74-31-37)51-23-41(32-75-51)47-27-62-29-50-54(47)67-57(64-50)55-43-20-36(10-11-48(43)68-70-55)40-17-34(24-60-25-40)30-72-13-6-7-14-72/h3-5,8-12,15-29,31-32H,2,6-7,13-14,30H2,1H3,(H,63,73)(H,64,67)(H,65,66)(H,68,70)(H,69,71)
InChIKeyCGGNZJXMUWFZCB-UHFFFAOYSA-N
XLogP13.58
TPSA185.73 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001016.23
LogP ≤ 513.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide with MolForge

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Related Compounds

3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136643054
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 135987311
N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136273256
N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137014654
N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137109909
N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137143075
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 138961936
N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145995948
US20240025884, Example 453
CID 170672892
US20240025884, Example 461
CID 170673091
US20240025884, Example 451
CID 170673169
10-fluoro-6-[6-[5-[2-[3-fluoro-4-[[8-fluoro-6-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carbonyl]amino]-5-methylphenyl]cyclopropyl]-1H-pyrazol-4-yl]pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130249087

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide?
The IUPAC name of N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide (CID 137053559) is N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide is CCc1cc(NC(=O)c2ccccc2)cc(-c2cc(-c3cc(-c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cncc(CN9CCCC9)c8)cc67)nc45)cs3)c3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide?
The InChIKey is CGGNZJXMUWFZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N13OS2/c1-2-33-16-38(19-42(18-33)63-59(73)35-8-4-3-5-9-35)39-21-44(52-45(22-39)56(71-69-52)58-65-49-28-61-26-46(53(49)66-58)37-12-15-74-31-37)51-23-41(32-75-51)47-27-62-29-50-54(47)67-57(64-50)55-43-20-36(10-11-48(43)68-70-55)40-17-34(24-60-25-40)30-72-13-6-7-14-72/h3-5,8-12,15-29,31-32H,2,6-7,13-14,30H2,1H3,(H,63,73)(H,64,67)(H,65,66)(H,68,70)(H,69,71).
What are the key properties of N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide?
N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide has a molecular weight of 1016.23 g/mol, XLogP of 13.58, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 137053559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).