[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone

C20H24F2N4O2 — CID 67739774

IUPAC[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
SMILESCC(C)C[C@H]1CN(c2ccc(OC(F)F)c(C(=O)c3cccnc3)n2)CCN1
InChIInChI=1S/C20H24F2N4O2/c1-13(2)10-15-12-26(9-8-24-15)17-6-5-16(28-20(21)22)18(25-17)19(27)14-4-3-7-23-11-14/h3-7,11,13,15,20,24H,8-10,12H2,1-2H3/t15-/m0/s1
InChIKeyMTHVGMLDSIXGEC-HNNXBMFYSA-N
MW390.43 g/mol
LogP3.13
Rot. Bonds7

About [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone

[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone (PubChem CID 67739774) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
PubChem CID67739774
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
SMILESCC(C)C[C@H]1CN(c2ccc(OC(F)F)c(C(=O)c3cccnc3)n2)CCN1
InChIInChI=1S/C20H24F2N4O2/c1-13(2)10-15-12-26(9-8-24-15)17-6-5-16(28-20(21)22)18(25-17)19(27)14-4-3-7-23-11-14/h3-7,11,13,15,20,24H,8-10,12H2,1-2H3/t15-/m0/s1
InChIKeyMTHVGMLDSIXGEC-HNNXBMFYSA-N
XLogP3.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone (CID 67739774) is [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone is CC(C)C[C@H]1CN(c2ccc(OC(F)F)c(C(=O)c3cccnc3)n2)CCN1.
What is the InChIKey of [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
The InChIKey is MTHVGMLDSIXGEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-13(2)10-15-12-26(9-8-24-15)17-6-5-16(28-20(21)22)18(25-17)19(27)14-4-3-7-23-11-14/h3-7,11,13,15,20,24H,8-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone has a molecular weight of 390.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 67739774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).