1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine

C24H17Cl2N3 — CID 139069277

IUPAC1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine
SMILESClc1ccc(C2=NCCn3c(-c4ccc(Cl)cc4)cc(-c4ccncc4)c32)cc1
InChIInChI=1S/C24H17Cl2N3/c25-19-5-1-17(2-6-19)22-15-21(16-9-11-27-12-10-16)24-23(28-13-14-29(22)24)18-3-7-20(26)8-4-18/h1-12,15H,13-14H2
InChIKeyQAKZZZFDUCSMRG-UHFFFAOYSA-N
MW418.33 g/mol
LogP6.37
Rot. Bonds3

About 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine

1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine (PubChem CID 139069277) has the molecular formula C24H17Cl2N3 and a molecular weight of 418.33 g/mol. Its IUPAC name is 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine
PubChem CID139069277
Molecular FormulaC24H17Cl2N3
Molecular Weight418.33 g/mol
Exact Mass417.08
IUPAC Name1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine
SMILESClc1ccc(C2=NCCn3c(-c4ccc(Cl)cc4)cc(-c4ccncc4)c32)cc1
InChIInChI=1S/C24H17Cl2N3/c25-19-5-1-17(2-6-19)22-15-21(16-9-11-27-12-10-16)24-23(28-13-14-29(22)24)18-3-7-20(26)8-4-18/h1-12,15H,13-14H2
InChIKeyQAKZZZFDUCSMRG-UHFFFAOYSA-N
XLogP6.37
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine (CID 139069277) is 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine is Clc1ccc(C2=NCCn3c(-c4ccc(Cl)cc4)cc(-c4ccncc4)c32)cc1.
What is the InChIKey of 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine?
The InChIKey is QAKZZZFDUCSMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3/c25-19-5-1-17(2-6-19)22-15-21(16-9-11-27-12-10-16)24-23(28-13-14-29(22)24)18-3-7-20(26)8-4-18/h1-12,15H,13-14H2.
What are the key properties of 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine?
1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine has a molecular weight of 418.33 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-chlorophenyl)-8-pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 139069277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).