6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine

C39H24F2N6 — CID 71180835

IUPAC6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine
SMILESFc1cn2c(-c3ccccc3)c(N(c3ccncc3)c3nc4c5ccccc5c(F)cn4c3-c3ccccc3)nc2c2ccccc12
InChIInChI=1S/C39H24F2N6/c40-32-23-45-34(25-11-3-1-4-12-25)38(43-36(45)30-17-9-7-15-28(30)32)47(27-19-21-42-22-20-27)39-35(26-13-5-2-6-14-26)46-24-33(41)29-16-8-10-18-31(29)37(46)44-39/h1-24H
InChIKeyOFDAPTBBVCICCQ-UHFFFAOYSA-N
MW614.66 g/mol
LogP9.77
Rot. Bonds5

About 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine

6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine (PubChem CID 71180835) has the molecular formula C39H24F2N6 and a molecular weight of 614.66 g/mol. Its IUPAC name is 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine
PubChem CID71180835
Molecular FormulaC39H24F2N6
Molecular Weight614.66 g/mol
Exact Mass614.20
IUPAC Name6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine
SMILESFc1cn2c(-c3ccccc3)c(N(c3ccncc3)c3nc4c5ccccc5c(F)cn4c3-c3ccccc3)nc2c2ccccc12
InChIInChI=1S/C39H24F2N6/c40-32-23-45-34(25-11-3-1-4-12-25)38(43-36(45)30-17-9-7-15-28(30)32)47(27-19-21-42-22-20-27)39-35(26-13-5-2-6-14-26)46-24-33(41)29-16-8-10-18-31(29)37(46)44-39/h1-24H
InChIKeyOFDAPTBBVCICCQ-UHFFFAOYSA-N
XLogP9.77
TPSA50.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.66
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine with MolForge

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Related Compounds

CID 10133248
CID 10133248
CID 135233366
CID 135233366
CID 11670972
CID 11670972
CID 16214946
CID 16214946
CID 156073186
CID 156073186
CID 9826083
CID 9826083
CID 9841032
CID 9841032
CID 9844057
CID 9844057
CID 9957918
CID 9957918
CID 10070518
CID 10070518
CID 10109460
CID 10109460
CID 10162057
CID 10162057

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine?
The IUPAC name of 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine (CID 71180835) is 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine.
What is the SMILES notation for 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine?
The canonical SMILES for 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine is Fc1cn2c(-c3ccccc3)c(N(c3ccncc3)c3nc4c5ccccc5c(F)cn4c3-c3ccccc3)nc2c2ccccc12.
What is the InChIKey of 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine?
The InChIKey is OFDAPTBBVCICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F2N6/c40-32-23-45-34(25-11-3-1-4-12-25)38(43-36(45)30-17-9-7-15-28(30)32)47(27-19-21-42-22-20-27)39-35(26-13-5-2-6-14-26)46-24-33(41)29-16-8-10-18-31(29)37(46)44-39/h1-24H.
What are the key properties of 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine?
6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine has a molecular weight of 614.66 g/mol, XLogP of 9.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(6-fluoro-3-phenylimidazo[2,1-a]isoquinolin-2-yl)-3-phenyl-N-pyridin-4-ylimidazo[2,1-a]isoquinolin-2-amine is sourced from PubChem (CID 71180835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).