2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline

C51H34N10O — CID 141434638

IUPAC2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline
SMILESc1c[nH]c(-n2c(-c3cc4ccccc4o3)nc3c(-c4nccc5c4CCCC5)c(-c4ncc5ccccc5n4)c(-c4cnc5ccccc5n4)c(-c4n[nH]c5ccccc45)c32)c1
InChIInChI=1S/C51H34N10O/c1-4-15-32-29(12-1)23-25-53-46(32)44-43(50-55-27-31-14-2-6-17-34(31)57-50)42(38-28-54-36-19-8-9-20-37(36)56-38)45(47-33-16-5-7-18-35(33)59-60-47)49-48(44)58-51(61(49)41-22-11-24-52-41)40-26-30-13-3-10-21-39(30)62-40/h2-3,5-11,13-14,16-28,52H,1,4,12,15H2,(H,59,60)
InChIKeyNSRSWLMAMPWTNM-UHFFFAOYSA-N
MW802.90 g/mol
LogP11.47
Rot. Bonds6

About 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline

2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline (PubChem CID 141434638) has the molecular formula C51H34N10O and a molecular weight of 802.90 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline
PubChem CID141434638
Molecular FormulaC51H34N10O
Molecular Weight802.90 g/mol
Exact Mass802.29
IUPAC Name2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline
SMILESc1c[nH]c(-n2c(-c3cc4ccccc4o3)nc3c(-c4nccc5c4CCCC5)c(-c4ncc5ccccc5n4)c(-c4cnc5ccccc5n4)c(-c4n[nH]c5ccccc45)c32)c1
InChIInChI=1S/C51H34N10O/c1-4-15-32-29(12-1)23-25-53-46(32)44-43(50-55-27-31-14-2-6-17-34(31)57-50)42(38-28-54-36-19-8-9-20-37(36)56-38)45(47-33-16-5-7-18-35(33)59-60-47)49-48(44)58-51(61(49)41-22-11-24-52-41)40-26-30-13-3-10-21-39(30)62-40/h2-3,5-11,13-14,16-28,52H,1,4,12,15H2,(H,59,60)
InChIKeyNSRSWLMAMPWTNM-UHFFFAOYSA-N
XLogP11.47
TPSA139.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.90
LogP ≤ 511.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline with MolForge

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Launch Full Analysis

Related Compounds

4-(2-(((s)-1-(4-(3-(benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl)benzoyl)piperidin-3-yl)amino)acetamido)-N-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)butanamide
CID 166518812
N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136937793
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136943250
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145032836
6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;methane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157938251
1-[2-(2-carbazol-9-id-1-yl-6-methyl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
CID 176642528
1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
CID 176642817
9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)
CID 176643045
1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
CID 176643413
1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
CID 176643511
5-(2-(((s)-1-(4-(3-(benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl)benzoyl)piperidin-3-yl)amino)acetamido)-N-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)pentanamide
CID 170995412
6-(2-(((s)-1-(4-(3-(benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl)benzoyl)piperidin-3-yl)amino)acetamido)-N-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)hexanamide
CID 170995414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline (CID 141434638) is 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline is c1c[nH]c(-n2c(-c3cc4ccccc4o3)nc3c(-c4nccc5c4CCCC5)c(-c4ncc5ccccc5n4)c(-c4cnc5ccccc5n4)c(-c4n[nH]c5ccccc45)c32)c1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline?
The InChIKey is NSRSWLMAMPWTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N10O/c1-4-15-32-29(12-1)23-25-53-46(32)44-43(50-55-27-31-14-2-6-17-34(31)57-50)42(38-28-54-36-19-8-9-20-37(36)56-38)45(47-33-16-5-7-18-35(33)59-60-47)49-48(44)58-51(61(49)41-22-11-24-52-41)40-26-30-13-3-10-21-39(30)62-40/h2-3,5-11,13-14,16-28,52H,1,4,12,15H2,(H,59,60).
What are the key properties of 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline?
2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline has a molecular weight of 802.90 g/mol, XLogP of 11.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-4-(1H-indazol-3-yl)-3-(1H-pyrrol-2-yl)-6-quinazolin-2-yl-7-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzimidazol-5-yl]quinoxaline is sourced from PubChem (CID 141434638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).