[1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone

C26H26N4O — CID 56661689

IUPAC[1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESCC(c1ccccc1)c1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
InChIInChI=1S/C26H26N4O/c1-19(20-9-4-2-5-10-20)25-23(26(31)29-17-15-27-16-18-29)24-22(13-8-14-28-24)30(25)21-11-6-3-7-12-21/h2-14,19,27H,15-18H2,1H3
InChIKeyJCSAEZOESPJBNO-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.22
Rot. Bonds4

About [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone

[1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone (PubChem CID 56661689) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
PubChem CID56661689
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name[1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESCC(c1ccccc1)c1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
InChIInChI=1S/C26H26N4O/c1-19(20-9-4-2-5-10-20)25-23(26(31)29-17-15-27-16-18-29)24-22(13-8-14-28-24)30(25)21-11-6-3-7-12-21/h2-14,19,27H,15-18H2,1H3
InChIKeyJCSAEZOESPJBNO-UHFFFAOYSA-N
XLogP4.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone (CID 56661689) is [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone is CC(c1ccccc1)c1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1.
What is the InChIKey of [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is JCSAEZOESPJBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-19(20-9-4-2-5-10-20)25-23(26(31)29-17-15-27-16-18-29)24-22(13-8-14-28-24)30(25)21-11-6-3-7-12-21/h2-14,19,27H,15-18H2,1H3.
What are the key properties of [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone?
[1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 410.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-2-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56661689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).