(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

C22H21Cl2FN4OS — CID 10743303

IUPAC(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3nccs3)n2)CC1
InChIInChI=1S/C22H21Cl2FN4OS/c23-17-5-4-15(12-18(17)24)21(30)29-9-6-22(25,7-10-29)14-26-13-16-2-1-3-19(28-16)20-27-8-11-31-20/h1-5,8,11-12,26H,6-7,9-10,13-14H2
InChIKeyNYFVZSBKYHXQCT-UHFFFAOYSA-N
MW479.41 g/mol
LogP5.25
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10743303) has the molecular formula C22H21Cl2FN4OS and a molecular weight of 479.41 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10743303
Molecular FormulaC22H21Cl2FN4OS
Molecular Weight479.41 g/mol
Exact Mass478.08
IUPAC Name(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3nccs3)n2)CC1
InChIInChI=1S/C22H21Cl2FN4OS/c23-17-5-4-15(12-18(17)24)21(30)29-9-6-22(25,7-10-29)14-26-13-16-2-1-3-19(28-16)20-27-8-11-31-20/h1-5,8,11-12,26H,6-7,9-10,13-14H2
InChIKeyNYFVZSBKYHXQCT-UHFFFAOYSA-N
XLogP5.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]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 (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10743303) is (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3nccs3)n2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is NYFVZSBKYHXQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2FN4OS/c23-17-5-4-15(12-18(17)24)21(30)29-9-6-22(25,7-10-29)14-26-13-16-2-1-3-19(28-16)20-27-8-11-31-20/h1-5,8,11-12,26H,6-7,9-10,13-14H2.
What are the key properties of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 479.41 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10743303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).