4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline

C50H32N8 — CID 141077068

IUPAC4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline
SMILESc1ccc(-c2nc(-c3ccc4ccccc4n3)c3cc(-c4ccc[nH]4)c(-c4cc5ccccc5[nH]4)c(-c4[nH]cc5ccccc45)c3c2-c2n[nH]c3ccccc23)nc1
InChIInChI=1S/C50H32N8/c1-4-15-32-31(14-1)28-53-48(32)45-43(42-26-30-13-3-7-18-37(30)55-42)34(38-21-11-25-51-38)27-35-44(45)46(49-33-16-5-8-19-39(33)57-58-49)50(40-20-9-10-24-52-40)56-47(35)41-23-22-29-12-2-6-17-36(29)54-41/h1-28,51,53,55H,(H,57,58)
InChIKeyWFVAHTFFKHRMEH-UHFFFAOYSA-N
MW744.86 g/mol
LogP12.35
Rot. Bonds6

About 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline

4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline (PubChem CID 141077068) has the molecular formula C50H32N8 and a molecular weight of 744.86 g/mol. Its IUPAC name is 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline.

Molecular Properties

Compound Name4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline
PubChem CID141077068
Molecular FormulaC50H32N8
Molecular Weight744.86 g/mol
Exact Mass744.27
IUPAC Name4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline
SMILESc1ccc(-c2nc(-c3ccc4ccccc4n3)c3cc(-c4ccc[nH]4)c(-c4cc5ccccc5[nH]4)c(-c4[nH]cc5ccccc45)c3c2-c2n[nH]c3ccccc23)nc1
InChIInChI=1S/C50H32N8/c1-4-15-32-31(14-1)28-53-48(32)45-43(42-26-30-13-3-7-18-37(30)55-42)34(38-21-11-25-51-38)27-35-44(45)46(49-33-16-5-8-19-39(33)57-58-49)50(40-20-9-10-24-52-40)56-47(35)41-23-22-29-12-2-6-17-36(29)54-41/h1-28,51,53,55H,(H,57,58)
InChIKeyWFVAHTFFKHRMEH-UHFFFAOYSA-N
XLogP12.35
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.86
LogP ≤ 512.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline?
The IUPAC name of 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline (CID 141077068) is 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline.
What is the SMILES notation for 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline?
The canonical SMILES for 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline is c1ccc(-c2nc(-c3ccc4ccccc4n3)c3cc(-c4ccc[nH]4)c(-c4cc5ccccc5[nH]4)c(-c4[nH]cc5ccccc45)c3c2-c2n[nH]c3ccccc23)nc1.
What is the InChIKey of 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline?
The InChIKey is WFVAHTFFKHRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N8/c1-4-15-32-31(14-1)28-53-48(32)45-43(42-26-30-13-3-7-18-37(30)55-42)34(38-21-11-25-51-38)27-35-44(45)46(49-33-16-5-8-19-39(33)57-58-49)50(40-20-9-10-24-52-40)56-47(35)41-23-22-29-12-2-6-17-36(29)54-41/h1-28,51,53,55H,(H,57,58).
What are the key properties of 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline?
4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline has a molecular weight of 744.86 g/mol, XLogP of 12.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-pyridin-2-yl-7-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinoline is sourced from PubChem (CID 141077068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).