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

C22H21ClN4 — CID 10134163

IUPAC7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine
SMILESClc1cccc(-c2n[nH]c(C3=CC4CCCN4CC3)c2-c2ccncc2)c1
InChIInChI=1S/C22H21ClN4/c23-18-4-1-3-16(13-18)21-20(15-6-9-24-10-7-15)22(26-25-21)17-8-12-27-11-2-5-19(27)14-17/h1,3-4,6-7,9-10,13-14,19H,2,5,8,11-12H2,(H,25,26)
InChIKeyWKOABNKKSCTYNW-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.04
Rot. Bonds3

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

7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine (PubChem CID 10134163) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is 7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine.

Molecular Properties

Compound Name7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine
PubChem CID10134163
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC Name7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine
SMILESClc1cccc(-c2n[nH]c(C3=CC4CCCN4CC3)c2-c2ccncc2)c1
InChIInChI=1S/C22H21ClN4/c23-18-4-1-3-16(13-18)21-20(15-6-9-24-10-7-15)22(26-25-21)17-8-12-27-11-2-5-19(27)14-17/h1,3-4,6-7,9-10,13-14,19H,2,5,8,11-12H2,(H,25,26)
InChIKeyWKOABNKKSCTYNW-UHFFFAOYSA-N
XLogP5.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine?
The IUPAC name of 7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine (CID 10134163) is 7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine.
What is the SMILES notation for 7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine?
The canonical SMILES for 7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine is Clc1cccc(-c2n[nH]c(C3=CC4CCCN4CC3)c2-c2ccncc2)c1.
What is the InChIKey of 7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine?
The InChIKey is WKOABNKKSCTYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c23-18-4-1-3-16(13-18)21-20(15-6-9-24-10-7-15)22(26-25-21)17-8-12-27-11-2-5-19(27)14-17/h1,3-4,6-7,9-10,13-14,19H,2,5,8,11-12H2,(H,25,26).
What are the key properties of 7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine?
7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine has a molecular weight of 376.89 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1,2,3,5,6,8a-hexahydroindolizine is sourced from PubChem (CID 10134163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).