2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine

C55H33N11 — CID 141416470

IUPAC2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine
SMILESc1cnc2nc(-c3c(-c4nc5ncccc5[nH]4)nc4cc(-c5n[nH]c6ccccc56)c(-c5cc6ccccc6[nH]5)c(-c5[nH]cc6ccccc56)c4c3-c3nccc4ccccc34)ccc2c1
InChIInChI=1S/C55H33N11/c1-4-15-34-30(11-1)23-26-56-50(34)48-45-43(61-52(55-63-41-20-10-25-58-54(41)64-55)46(48)40-22-21-31-14-9-24-57-53(31)62-40)28-37(49-36-17-6-8-19-39(36)65-66-49)44(42-27-32-12-3-7-18-38(32)60-42)47(45)51-35-16-5-2-13-33(35)29-59-51/h1-29,59-60H,(H,65,66)(H,58,63,64)
InChIKeyZPUNFVXIWLXJRA-UHFFFAOYSA-N
MW847.95 g/mol
LogP12.84
Rot. Bonds6

About 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine

2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine (PubChem CID 141416470) has the molecular formula C55H33N11 and a molecular weight of 847.95 g/mol. Its IUPAC name is 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine
PubChem CID141416470
Molecular FormulaC55H33N11
Molecular Weight847.95 g/mol
Exact Mass847.29
IUPAC Name2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine
SMILESc1cnc2nc(-c3c(-c4nc5ncccc5[nH]4)nc4cc(-c5n[nH]c6ccccc56)c(-c5cc6ccccc6[nH]5)c(-c5[nH]cc6ccccc56)c4c3-c3nccc4ccccc34)ccc2c1
InChIInChI=1S/C55H33N11/c1-4-15-34-30(11-1)23-26-56-50(34)48-45-43(61-52(55-63-41-20-10-25-58-54(41)64-55)46(48)40-22-21-31-14-9-24-57-53(31)62-40)28-37(49-36-17-6-8-19-39(36)65-66-49)44(42-27-32-12-3-7-18-38(32)60-42)47(45)51-35-16-5-2-13-33(35)29-59-51/h1-29,59-60H,(H,65,66)(H,58,63,64)
InChIKeyZPUNFVXIWLXJRA-UHFFFAOYSA-N
XLogP12.84
TPSA153.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.95
LogP ≤ 512.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine?
The IUPAC name of 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine (CID 141416470) is 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine?
The canonical SMILES for 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine is c1cnc2nc(-c3c(-c4nc5ncccc5[nH]4)nc4cc(-c5n[nH]c6ccccc56)c(-c5cc6ccccc6[nH]5)c(-c5[nH]cc6ccccc56)c4c3-c3nccc4ccccc34)ccc2c1.
What is the InChIKey of 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine?
The InChIKey is ZPUNFVXIWLXJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N11/c1-4-15-34-30(11-1)23-26-56-50(34)48-45-43(61-52(55-63-41-20-10-25-58-54(41)64-55)46(48)40-22-21-31-14-9-24-57-53(31)62-40)28-37(49-36-17-6-8-19-39(36)65-66-49)44(42-27-32-12-3-7-18-38(32)60-42)47(45)51-35-16-5-2-13-33(35)29-59-51/h1-29,59-60H,(H,65,66)(H,58,63,64).
What are the key properties of 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine?
2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine has a molecular weight of 847.95 g/mol, XLogP of 12.84, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-4-isoquinolin-1-ylquinolin-3-yl]-1,8-naphthyridine is sourced from PubChem (CID 141416470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).