4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline

C38H28N10 — CID 141286233

IUPAC4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline
SMILESc1ccc(C2(c3ncccn3)N(c3ccc[nH]3)c3ccccc3C(c3cc4ccccc4[nH]3)C2(c2cnccn2)c2cccnn2)nc1
InChIInChI=1S/C38H28N10/c1-3-12-28-26(10-1)24-29(46-28)35-27-11-2-4-13-30(27)48(34-16-8-18-42-34)38(32-14-5-6-17-40-32,36-43-19-9-20-44-36)37(35,31-15-7-21-45-47-31)33-25-39-22-23-41-33/h1-25,35,42,46H
InChIKeyKUCFTRSGEALXLJ-UHFFFAOYSA-N
MW624.71 g/mol
LogP6.47
Rot. Bonds6

About 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline

4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline (PubChem CID 141286233) has the molecular formula C38H28N10 and a molecular weight of 624.71 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline
PubChem CID141286233
Molecular FormulaC38H28N10
Molecular Weight624.71 g/mol
Exact Mass624.25
IUPAC Name4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline
SMILESc1ccc(C2(c3ncccn3)N(c3ccc[nH]3)c3ccccc3C(c3cc4ccccc4[nH]3)C2(c2cnccn2)c2cccnn2)nc1
InChIInChI=1S/C38H28N10/c1-3-12-28-26(10-1)24-29(46-28)35-27-11-2-4-13-30(27)48(34-16-8-18-42-34)38(32-14-5-6-17-40-32,36-43-19-9-20-44-36)37(35,31-15-7-21-45-47-31)33-25-39-22-23-41-33/h1-25,35,42,46H
InChIKeyKUCFTRSGEALXLJ-UHFFFAOYSA-N
XLogP6.47
TPSA125.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.71
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline?
The IUPAC name of 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline (CID 141286233) is 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline.
What is the SMILES notation for 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline?
The canonical SMILES for 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline is c1ccc(C2(c3ncccn3)N(c3ccc[nH]3)c3ccccc3C(c3cc4ccccc4[nH]3)C2(c2cnccn2)c2cccnn2)nc1.
What is the InChIKey of 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline?
The InChIKey is KUCFTRSGEALXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N10/c1-3-12-28-26(10-1)24-29(46-28)35-27-11-2-4-13-30(27)48(34-16-8-18-42-34)38(32-14-5-6-17-40-32,36-43-19-9-20-44-36)37(35,31-15-7-21-45-47-31)33-25-39-22-23-41-33/h1-25,35,42,46H.
What are the key properties of 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline?
4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline has a molecular weight of 624.71 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4H-quinoline is sourced from PubChem (CID 141286233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).