7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine

C23H22ClN3 — CID 142648095

IUPAC7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine
SMILESClc1cccc(-n2cc(C3=CC4CCCN4CC3)c(-c3ccncc3)c2)c1
InChIInChI=1S/C23H22ClN3/c24-19-3-1-4-21(14-19)27-15-22(17-6-9-25-10-7-17)23(16-27)18-8-12-26-11-2-5-20(26)13-18/h1,3-4,6-7,9-10,13-16,20H,2,5,8,11-12H2
InChIKeyKPQOKDSPGPJLOM-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.44
Rot. Bonds3

About 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine

7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine (PubChem CID 142648095) has the molecular formula C23H22ClN3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine.

Molecular Properties

Compound Name7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine
PubChem CID142648095
Molecular FormulaC23H22ClN3
Molecular Weight375.90 g/mol
Exact Mass375.15
IUPAC Name7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine
SMILESClc1cccc(-n2cc(C3=CC4CCCN4CC3)c(-c3ccncc3)c2)c1
InChIInChI=1S/C23H22ClN3/c24-19-3-1-4-21(14-19)27-15-22(17-6-9-25-10-7-17)23(16-27)18-8-12-26-11-2-5-20(26)13-18/h1,3-4,6-7,9-10,13-16,20H,2,5,8,11-12H2
InChIKeyKPQOKDSPGPJLOM-UHFFFAOYSA-N
XLogP5.44
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine with MolForge

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Related Compounds

7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine
CID 10134163
(3S,7aR)-2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 11875197
2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 18553463
N-[1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]-N-cyclopropyl-4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-amine
CID 174524125
4-(3-chlorophenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 738544
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152057
4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 108989247
4-[4-(3-chlorophenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 1374593
3-chloro-N-(4-oxo-2-pyridin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)benzamide
CID 67266038
2-(3-chlorophenyl)-1-[(2R)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95802254
1-(3-chlorophenyl)azonane
CID 145391535
2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
CID 62053498

Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine?
The IUPAC name of 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine (CID 142648095) is 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine.
What is the SMILES notation for 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine?
The canonical SMILES for 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine is Clc1cccc(-n2cc(C3=CC4CCCN4CC3)c(-c3ccncc3)c2)c1.
What is the InChIKey of 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine?
The InChIKey is KPQOKDSPGPJLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3/c24-19-3-1-4-21(14-19)27-15-22(17-6-9-25-10-7-17)23(16-27)18-8-12-26-11-2-5-20(26)13-18/h1,3-4,6-7,9-10,13-16,20H,2,5,8,11-12H2.
What are the key properties of 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine?
7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine has a molecular weight of 375.90 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-chlorophenyl)-4-pyridin-4-ylpyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine is sourced from PubChem (CID 142648095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).