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

C24H25FN4 — CID 10134877

IUPAC7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine
SMILESCC1CC2C=C(c3nn(C)c(-c4ccc(F)cc4)c3-c3ccncc3)CCN2C1
InChIInChI=1S/C24H25FN4/c1-16-13-21-14-19(9-12-29(21)15-16)23-22(17-7-10-26-11-8-17)24(28(2)27-23)18-3-5-20(25)6-4-18/h3-8,10-11,14,16,21H,9,12-13,15H2,1-2H3
InChIKeyYNNFRWPWLOFUFS-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.79
Rot. Bonds3

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

7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine (PubChem CID 10134877) has the molecular formula C24H25FN4 and a molecular weight of 388.49 g/mol. Its IUPAC name is 7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine.

Molecular Properties

Compound Name7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine
PubChem CID10134877
Molecular FormulaC24H25FN4
Molecular Weight388.49 g/mol
Exact Mass388.21
IUPAC Name7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine
SMILESCC1CC2C=C(c3nn(C)c(-c4ccc(F)cc4)c3-c3ccncc3)CCN2C1
InChIInChI=1S/C24H25FN4/c1-16-13-21-14-19(9-12-29(21)15-16)23-22(17-7-10-26-11-8-17)24(28(2)27-23)18-3-5-20(25)6-4-18/h3-8,10-11,14,16,21H,9,12-13,15H2,1-2H3
InChIKeyYNNFRWPWLOFUFS-UHFFFAOYSA-N
XLogP4.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine?
The IUPAC name of 7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine (CID 10134877) is 7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine.
What is the SMILES notation for 7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine?
The canonical SMILES for 7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine is CC1CC2C=C(c3nn(C)c(-c4ccc(F)cc4)c3-c3ccncc3)CCN2C1.
What is the InChIKey of 7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine?
The InChIKey is YNNFRWPWLOFUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4/c1-16-13-21-14-19(9-12-29(21)15-16)23-22(17-7-10-26-11-8-17)24(28(2)27-23)18-3-5-20(25)6-4-18/h3-8,10-11,14,16,21H,9,12-13,15H2,1-2H3.
What are the key properties of 7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine?
7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine has a molecular weight of 388.49 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-2-methyl-1,2,3,5,6,8a-hexahydroindolizine is sourced from PubChem (CID 10134877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).