7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine

C23H23N3 — CID 10132124

IUPAC7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine
SMILESC1=C(c2c[nH]c(-c3ccccc3)c2-c2ccncc2)CCN2CCCC12
InChIInChI=1S/C23H23N3/c1-2-5-18(6-3-1)23-22(17-8-11-24-12-9-17)21(16-25-23)19-10-14-26-13-4-7-20(26)15-19/h1-3,5-6,8-9,11-12,15-16,20,25H,4,7,10,13-14H2
InChIKeyIKKVGOZVMOIXBF-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.00
Rot. Bonds3

About 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine

7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine (PubChem CID 10132124) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine.

Molecular Properties

Compound Name7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine
PubChem CID10132124
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine
SMILESC1=C(c2c[nH]c(-c3ccccc3)c2-c2ccncc2)CCN2CCCC12
InChIInChI=1S/C23H23N3/c1-2-5-18(6-3-1)23-22(17-8-11-24-12-9-17)21(16-25-23)19-10-14-26-13-4-7-20(26)15-19/h1-3,5-6,8-9,11-12,15-16,20,25H,4,7,10,13-14H2
InChIKeyIKKVGOZVMOIXBF-UHFFFAOYSA-N
XLogP5.00
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine?
The IUPAC name of 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine (CID 10132124) is 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine.
What is the SMILES notation for 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine?
The canonical SMILES for 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine is C1=C(c2c[nH]c(-c3ccccc3)c2-c2ccncc2)CCN2CCCC12.
What is the InChIKey of 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine?
The InChIKey is IKKVGOZVMOIXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-2-5-18(6-3-1)23-22(17-8-11-24-12-9-17)21(16-25-23)19-10-14-26-13-4-7-20(26)15-19/h1-3,5-6,8-9,11-12,15-16,20,25H,4,7,10,13-14H2.
What are the key properties of 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine?
7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine has a molecular weight of 341.46 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine is sourced from PubChem (CID 10132124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).