6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline

C57H34N10 — CID 141035243

IUPAC6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline
SMILESc1ccc2nc(-c3nc4c(-c5nccc6ccccc56)c(-c5n[nH]c6ccccc56)c(-c5ccn6ccccc56)c(-c5cc6ccccc6[nH]5)c4nc3-c3nncc4ccccc34)ccc2c1
InChIInChI=1S/C57H34N10/c1-5-17-37-33(13-1)26-28-58-51(37)50-49(52-39-19-7-10-22-43(39)64-66-52)47(40-27-30-67-29-12-11-23-46(40)67)48(45-31-35-15-4-9-21-42(35)61-45)55-56(50)62-54(44-25-24-34-14-3-8-20-41(34)60-44)57(63-55)53-38-18-6-2-16-36(38)32-59-65-53/h1-32,61H,(H,64,66)
InChIKeyQVHMIBSCXYZALN-UHFFFAOYSA-N
MW858.97 g/mol
LogP13.28
Rot. Bonds6

About 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline

6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline (PubChem CID 141035243) has the molecular formula C57H34N10 and a molecular weight of 858.97 g/mol. Its IUPAC name is 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline.

Molecular Properties

Compound Name6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline
PubChem CID141035243
Molecular FormulaC57H34N10
Molecular Weight858.97 g/mol
Exact Mass858.30
IUPAC Name6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline
SMILESc1ccc2nc(-c3nc4c(-c5nccc6ccccc56)c(-c5n[nH]c6ccccc56)c(-c5ccn6ccccc56)c(-c5cc6ccccc6[nH]5)c4nc3-c3nncc4ccccc34)ccc2c1
InChIInChI=1S/C57H34N10/c1-5-17-37-33(13-1)26-28-58-51(37)50-49(52-39-19-7-10-22-43(39)64-66-52)47(40-27-30-67-29-12-11-23-46(40)67)48(45-31-35-15-4-9-21-42(35)61-45)55-56(50)62-54(44-25-24-34-14-3-8-20-41(34)60-44)57(63-55)53-38-18-6-2-16-36(38)32-59-65-53/h1-32,61H,(H,64,66)
InChIKeyQVHMIBSCXYZALN-UHFFFAOYSA-N
XLogP13.28
TPSA126.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.97
LogP ≤ 513.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline with MolForge

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Related Compounds

4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 71240413
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137087962
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazole
CID 137088429
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137112384
N-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137114507
N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137114585
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114591
5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137115921
N,N-dimethyl-1-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
CID 137115966
2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116552
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137117041

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline?
The IUPAC name of 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline (CID 141035243) is 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline.
What is the SMILES notation for 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline?
The canonical SMILES for 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline is c1ccc2nc(-c3nc4c(-c5nccc6ccccc56)c(-c5n[nH]c6ccccc56)c(-c5ccn6ccccc56)c(-c5cc6ccccc6[nH]5)c4nc3-c3nncc4ccccc34)ccc2c1.
What is the InChIKey of 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline?
The InChIKey is QVHMIBSCXYZALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N10/c1-5-17-37-33(13-1)26-28-58-51(37)50-49(52-39-19-7-10-22-43(39)64-66-52)47(40-27-30-67-29-12-11-23-46(40)67)48(45-31-35-15-4-9-21-42(35)61-45)55-56(50)62-54(44-25-24-34-14-3-8-20-41(34)60-44)57(63-55)53-38-18-6-2-16-36(38)32-59-65-53/h1-32,61H,(H,64,66).
What are the key properties of 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline?
6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline has a molecular weight of 858.97 g/mol, XLogP of 13.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-3-yl)-7-indolizin-1-yl-8-(1H-indol-2-yl)-5-isoquinolin-1-yl-2-phthalazin-1-yl-3-quinolin-2-ylquinoxaline is sourced from PubChem (CID 141035243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).