(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C24H23F2N3O — CID 141288527

About (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 141288527) has the molecular formula C24H23F2N3O and a molecular weight of 407.46 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
• PubChem CID: 141288527
• Molecular Formula: C24H23F2N3O
• Molecular Weight: 407.46 g/mol
• Exact Mass: 407.18
• IUPAC Name: (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
• SMILES: O=C(C1CCc2cc(F)ccc21)N1CCC[C@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1
• InChI: InChI=1S/C24H23F2N3O/c25-18-6-3-15(4-7-18)22-13-23(28-27-22)17-2-1-11-29(14-17)24(30)21-9-5-16-12-19(26)8-10-20(16)21/h3-4,6-8,10,12-13,17,21H,1-2,5,9,11,14H2,(H,27,28)/t17-,21?/m0/s1
• InChIKey: HWIFNTACDDIINF-PBVYKCSPSA-N
• XLogP: 4.79
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.46
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

The IUPAC name of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 141288527) is (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

The canonical SMILES for (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(C1CCc2cc(F)ccc21)N1CCC[C@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1.

What is the InChIKey of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

The InChIKey is HWIFNTACDDIINF-PBVYKCSPSA-N. The full InChI is InChI=1S/C24H23F2N3O/c25-18-6-3-15(4-7-18)22-13-23(28-27-22)17-2-1-11-29(14-17)24(30)21-9-5-16-12-19(26)8-10-20(16)21/h3-4,6-8,10,12-13,17,21H,1-2,5,9,11,14H2,(H,27,28)/t17-,21?/m0/s1.

What are the key properties of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 407.46 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 141288527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).