[4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone

C22H25Cl2FN4O — CID 10789756

IUPAC[4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(N3CCC3)n2)CC1
InChIInChI=1S/C22H25Cl2FN4O/c23-18-6-5-16(13-19(18)24)21(30)29-11-7-22(25,8-12-29)15-26-14-17-3-1-4-20(27-17)28-9-2-10-28/h1,3-6,13,26H,2,7-12,14-15H2
InChIKeySEEAACXFQOFBJU-UHFFFAOYSA-N
MW451.37 g/mol
LogP4.33
Rot. Bonds6

About [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone

[4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 10789756) has the molecular formula C22H25Cl2FN4O and a molecular weight of 451.37 g/mol. Its IUPAC name is [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone
PubChem CID10789756
Molecular FormulaC22H25Cl2FN4O
Molecular Weight451.37 g/mol
Exact Mass450.14
IUPAC Name[4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(N3CCC3)n2)CC1
InChIInChI=1S/C22H25Cl2FN4O/c23-18-6-5-16(13-19(18)24)21(30)29-11-7-22(25,8-12-29)15-26-14-17-3-1-4-20(27-17)28-9-2-10-28/h1,3-6,13,26H,2,7-12,14-15H2
InChIKeySEEAACXFQOFBJU-UHFFFAOYSA-N
XLogP4.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone 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 [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone (CID 10789756) is [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(N3CCC3)n2)CC1.
What is the InChIKey of [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is SEEAACXFQOFBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2FN4O/c23-18-6-5-16(13-19(18)24)21(30)29-11-7-22(25,8-12-29)15-26-14-17-3-1-4-20(27-17)28-9-2-10-28/h1,3-6,13,26H,2,7-12,14-15H2.
What are the key properties of [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone?
[4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 451.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[6-(azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 10789756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).