3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline

C58H39N5O — CID 142438967

IUPAC3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline
SMILESCOc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)c3)cn2)c1
InChIInChI=1S/C58H39N5O/c1-64-45-16-12-15-40(34-45)54-28-25-41(35-59-54)46-17-4-5-18-47(46)42-31-43(48-19-6-8-21-50(48)52-36-60-62-55-23-10-2-13-38(55)26-29-57(52)62)33-44(32-42)49-20-7-9-22-51(49)53-37-61-63-56-24-11-3-14-39(56)27-30-58(53)63/h2-37H,1H3
InChIKeyNFDOXAKMMUUXQK-UHFFFAOYSA-N
MW821.98 g/mol
LogP14.36
Rot. Bonds8

About 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline

3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline (PubChem CID 142438967) has the molecular formula C58H39N5O and a molecular weight of 821.98 g/mol. Its IUPAC name is 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline
PubChem CID142438967
Molecular FormulaC58H39N5O
Molecular Weight821.98 g/mol
Exact Mass821.32
IUPAC Name3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline
SMILESCOc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)c3)cn2)c1
InChIInChI=1S/C58H39N5O/c1-64-45-16-12-15-40(34-45)54-28-25-41(35-59-54)46-17-4-5-18-47(46)42-31-43(48-19-6-8-21-50(48)52-36-60-62-55-23-10-2-13-38(55)26-29-57(52)62)33-44(32-42)49-20-7-9-22-51(49)53-37-61-63-56-24-11-3-14-39(56)27-30-58(53)63/h2-37H,1H3
InChIKeyNFDOXAKMMUUXQK-UHFFFAOYSA-N
XLogP14.36
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.98
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline?
The IUPAC name of 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline (CID 142438967) is 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline?
The canonical SMILES for 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline is COc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)c3)cn2)c1.
What is the InChIKey of 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline?
The InChIKey is NFDOXAKMMUUXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5O/c1-64-45-16-12-15-40(34-45)54-28-25-41(35-59-54)46-17-4-5-18-47(46)42-31-43(48-19-6-8-21-50(48)52-36-60-62-55-23-10-2-13-38(55)26-29-57(52)62)33-44(32-42)49-20-7-9-22-51(49)53-37-61-63-56-24-11-3-14-39(56)27-30-58(53)63/h2-37H,1H3.
What are the key properties of 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline?
3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline has a molecular weight of 821.98 g/mol, XLogP of 14.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-[6-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 142438967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).