[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indoramin
CID 33625
Enzastaurin
CID 176167
LY-517717
CID 9939865
N-(1-Adamantyl)-1-pentyl-1H-indole-3-carboxamide
CID 71308155
5-Fluoro CUMYL-PICA
CID 117650397
Olinone
CID 91668531
1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one
CID 16219401
2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 10389239
1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 9038340
Parvine
CID 320217
Fiscalin B
CID 10091548
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779

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).