(3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one

C20H18F2N4O — CID 162784547

About (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one

(3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one (PubChem CID 162784547) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one.

Molecular Properties

• Compound Name: (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
• PubChem CID: 162784547
• Molecular Formula: C20H18F2N4O
• Molecular Weight: 368.39 g/mol
• Exact Mass: 368.14
• IUPAC Name: (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
• SMILES: O=C1[C@H](Cc2ccc(F)c(F)c2)CCCN1c1cc(-c2ccncc2)[nH]n1
• InChI: InChI=1S/C20H18F2N4O/c21-16-4-3-13(11-17(16)22)10-15-2-1-9-26(20(15)27)19-12-18(24-25-19)14-5-7-23-8-6-14/h3-8,11-12,15H,1-2,9-10H2,(H,24,25)/t15-/m0/s1
• InChIKey: FOZKRUXWJZETBQ-HNNXBMFYSA-N
• XLogP: 3.74
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.39
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one?

The IUPAC name of (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one (CID 162784547) is (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one.

What is the SMILES notation for (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one?

The canonical SMILES for (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one is O=C1[C@H](Cc2ccc(F)c(F)c2)CCCN1c1cc(-c2ccncc2)[nH]n1.

What is the InChIKey of (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one?

The InChIKey is FOZKRUXWJZETBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-16-4-3-13(11-17(16)22)10-15-2-1-9-26(20(15)27)19-12-18(24-25-19)14-5-7-23-8-6-14/h3-8,11-12,15H,1-2,9-10H2,(H,24,25)/t15-/m0/s1.

What are the key properties of (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one?

(3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one has a molecular weight of 368.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 162784547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).