1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine

C27H18N6 — CID 53433505

IUPAC1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)ccn2-c1cc(-n2ccc3cccnc32)cc(-n2ccc3cccnc32)c1
InChIInChI=1S/C27H18N6/c1-4-19-7-13-31(25(19)28-10-1)22-16-23(32-14-8-20-5-2-11-29-26(20)32)18-24(17-22)33-15-9-21-6-3-12-30-27(21)33/h1-18H
InChIKeyCFRAJQWGJXMEOT-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.70
Rot. Bonds3

About 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine

1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 53433505) has the molecular formula C27H18N6 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID53433505
Molecular FormulaC27H18N6
Molecular Weight426.48 g/mol
Exact Mass426.16
IUPAC Name1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)ccn2-c1cc(-n2ccc3cccnc32)cc(-n2ccc3cccnc32)c1
InChIInChI=1S/C27H18N6/c1-4-19-7-13-31(25(19)28-10-1)22-16-23(32-14-8-20-5-2-11-29-26(20)32)18-24(17-22)33-15-9-21-6-3-12-30-27(21)33/h1-18H
InChIKeyCFRAJQWGJXMEOT-UHFFFAOYSA-N
XLogP5.70
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine (CID 53433505) is 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine is c1cnc2c(c1)ccn2-c1cc(-n2ccc3cccnc32)cc(-n2ccc3cccnc32)c1.
What is the InChIKey of 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is CFRAJQWGJXMEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6/c1-4-19-7-13-31(25(19)28-10-1)22-16-23(32-14-8-20-5-2-11-29-26(20)32)18-24(17-22)33-15-9-21-6-3-12-30-27(21)33/h1-18H.
What are the key properties of 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 426.48 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53433505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).