(4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone

C23H28F2N6O2 — CID 170189082

IUPAC(4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone
SMILESC=Cn1ccc(N(c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)C2COC2)c/c1=N/N(C)C
InChIInChI=1S/C23H28F2N6O2/c1-4-29-10-7-18(13-21(29)27-28(2)3)31(19-15-33-16-19)20-6-5-17(14-26-20)22(32)30-11-8-23(24,25)9-12-30/h4-7,10,13-14,19H,1,8-9,11-12,15-16H2,2-3H3/b27-21-
InChIKeyBIEJCBRZMXBJPA-MEFGMAGPSA-N
MW458.51 g/mol
LogP2.77
Rot. Bonds6

About (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone

(4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone (PubChem CID 170189082) has the molecular formula C23H28F2N6O2 and a molecular weight of 458.51 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone
PubChem CID170189082
Molecular FormulaC23H28F2N6O2
Molecular Weight458.51 g/mol
Exact Mass458.22
IUPAC Name(4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone
SMILESC=Cn1ccc(N(c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)C2COC2)c/c1=N/N(C)C
InChIInChI=1S/C23H28F2N6O2/c1-4-29-10-7-18(13-21(29)27-28(2)3)31(19-15-33-16-19)20-6-5-17(14-26-20)22(32)30-11-8-23(24,25)9-12-30/h4-7,10,13-14,19H,1,8-9,11-12,15-16H2,2-3H3/b27-21-
InChIKeyBIEJCBRZMXBJPA-MEFGMAGPSA-N
XLogP2.77
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone (CID 170189082) is (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone is C=Cn1ccc(N(c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)C2COC2)c/c1=N/N(C)C.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone?
The InChIKey is BIEJCBRZMXBJPA-MEFGMAGPSA-N. The full InChI is InChI=1S/C23H28F2N6O2/c1-4-29-10-7-18(13-21(29)27-28(2)3)31(19-15-33-16-19)20-6-5-17(14-26-20)22(32)30-11-8-23(24,25)9-12-30/h4-7,10,13-14,19H,1,8-9,11-12,15-16H2,2-3H3/b27-21-.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone?
(4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone has a molecular weight of 458.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[6-[[(2Z)-2-(dimethylhydrazinylidene)-1-ethenyl-4-pyridinyl]-(oxetan-3-yl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 170189082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).