1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one

C23H26FN5O — CID 174574347

About 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one

1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one (PubChem CID 174574347) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one.

Molecular Properties

• Compound Name: 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one
• PubChem CID: 174574347
• Molecular Formula: C23H26FN5O
• Molecular Weight: 407.49 g/mol
• Exact Mass: 407.21
• IUPAC Name: 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one
• SMILES: O=C(CNC1CCNCC1)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
• InChI: InChI=1S/C23H26FN5O/c24-19-3-1-17(2-4-19)13-21-14-23(18-5-9-25-10-6-18)28-29(21)16-22(30)15-27-20-7-11-26-12-8-20/h1-6,9-10,14,20,26-27H,7-8,11-13,15-16H2
• InChIKey: YPPLKSUDBUBEQC-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.49
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one?

The IUPAC name of 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one (CID 174574347) is 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one.

What is the SMILES notation for 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one?

The canonical SMILES for 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one is O=C(CNC1CCNCC1)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1.

What is the InChIKey of 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one?

The InChIKey is YPPLKSUDBUBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c24-19-3-1-17(2-4-19)13-21-14-23(18-5-9-25-10-6-18)28-29(21)16-22(30)15-27-20-7-11-26-12-8-20/h1-6,9-10,14,20,26-27H,7-8,11-13,15-16H2.

What are the key properties of 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one?

1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one has a molecular weight of 407.49 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-3-(piperidin-4-ylamino)propan-2-one is sourced from PubChem (CID 174574347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).