7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine

C25H26FN3 — CID 10134828

IUPAC7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine
SMILESCc1[nH]c(-c2ccc(F)cc2)c(-c2ccncc2)c1C1=CC2CC(C)CN2CC1
InChIInChI=1S/C25H26FN3/c1-16-13-22-14-20(9-12-29(22)15-16)23-17(2)28-25(19-3-5-21(26)6-4-19)24(23)18-7-10-27-11-8-18/h3-8,10-11,14,16,22,28H,9,12-13,15H2,1-2H3
InChIKeyHKWDQJIFRDEOJA-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.69
Rot. Bonds3

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

7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine (PubChem CID 10134828) has the molecular formula C25H26FN3 and a molecular weight of 387.50 g/mol. Its IUPAC name is 7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine.

Molecular Properties

Compound Name7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine
PubChem CID10134828
Molecular FormulaC25H26FN3
Molecular Weight387.50 g/mol
Exact Mass387.21
IUPAC Name7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine
SMILESCc1[nH]c(-c2ccc(F)cc2)c(-c2ccncc2)c1C1=CC2CC(C)CN2CC1
InChIInChI=1S/C25H26FN3/c1-16-13-22-14-20(9-12-29(22)15-16)23-17(2)28-25(19-3-5-21(26)6-4-19)24(23)18-7-10-27-11-8-18/h3-8,10-11,14,16,22,28H,9,12-13,15H2,1-2H3
InChIKeyHKWDQJIFRDEOJA-UHFFFAOYSA-N
XLogP5.69
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylidene-7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,5,6,8a-tetrahydro-1H-indolizine
CID 139928307
(8aS)-2-ethyl-7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,5,6,8a-tetrahydroindolizine
CID 139935933
5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrole-3-carbaldehyde
CID 155235167
[5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol
CID 155235132
bis([5-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-1H-pyrrol-3-yl]methanol);methane
CID 165028965
1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
CID 164822235
(2S,8aS)-7-[3-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-(4-propoxyphenyl)-1,2,3,5,6,8a-hexahydroindolizine
CID 139985675
2-ethyl-7-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3,5,6,8a-tetrahydroindolizine
CID 10110698
4-[2-(4-fluorophenyl)-4-(methylsulfonylmethyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine
CID 155235204
4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine
CID 22037585
7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine
CID 10132124
1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
CID 155235302

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine?
The IUPAC name of 7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine (CID 10134828) is 7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine.
What is the SMILES notation for 7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine?
The canonical SMILES for 7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine is Cc1[nH]c(-c2ccc(F)cc2)c(-c2ccncc2)c1C1=CC2CC(C)CN2CC1.
What is the InChIKey of 7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine?
The InChIKey is HKWDQJIFRDEOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3/c1-16-13-22-14-20(9-12-29(22)15-16)23-17(2)28-25(19-3-5-21(26)6-4-19)24(23)18-7-10-27-11-8-18/h3-8,10-11,14,16,22,28H,9,12-13,15H2,1-2H3.
What are the key properties of 7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine?
7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine has a molecular weight of 387.50 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrrol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine is sourced from PubChem (CID 10134828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).