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

C23H22F2N4 — CID 10135110

IUPAC2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine
SMILESCn1nc(C2=CC3CC(F)CN3CC2)c(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H22F2N4/c1-28-23(16-2-4-18(24)5-3-16)21(15-6-9-26-10-7-15)22(27-28)17-8-11-29-14-19(25)13-20(29)12-17/h2-7,9-10,12,19-20H,8,11,13-14H2,1H3
InChIKeyDQHSTAVSRKNNGZ-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.49
Rot. Bonds3

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

2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine (PubChem CID 10135110) has the molecular formula C23H22F2N4 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine.

Molecular Properties

Compound Name2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine
PubChem CID10135110
Molecular FormulaC23H22F2N4
Molecular Weight392.45 g/mol
Exact Mass392.18
IUPAC Name2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine
SMILESCn1nc(C2=CC3CC(F)CN3CC2)c(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H22F2N4/c1-28-23(16-2-4-18(24)5-3-16)21(15-6-9-26-10-7-15)22(27-28)17-8-11-29-14-19(25)13-20(29)12-17/h2-7,9-10,12,19-20H,8,11,13-14H2,1H3
InChIKeyDQHSTAVSRKNNGZ-UHFFFAOYSA-N
XLogP4.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine?
The IUPAC name of 2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine (CID 10135110) is 2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine.
What is the SMILES notation for 2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine?
The canonical SMILES for 2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine is Cn1nc(C2=CC3CC(F)CN3CC2)c(-c2ccncc2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine?
The InChIKey is DQHSTAVSRKNNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4/c1-28-23(16-2-4-18(24)5-3-16)21(15-6-9-26-10-7-15)22(27-28)17-8-11-29-14-19(25)13-20(29)12-17/h2-7,9-10,12,19-20H,8,11,13-14H2,1H3.
What are the key properties of 2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine?
2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine has a molecular weight of 392.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-[5-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine is sourced from PubChem (CID 10135110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).