N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide

C25H35F2N5O2 — CID 138554252

IUPACN-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@H](CCN1CCCCC1)C(=O)NCc1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C25H35F2N5O2/c1-17(2)6-9-24(33)31-21(10-13-32-11-4-3-5-12-32)25(34)29-16-23-28-15-22(30-23)19-8-7-18(26)14-20(19)27/h7-8,14-15,17,21H,3-6,9-13,16H2,1-2H3,(H,28,30)(H,29,34)(H,31,33)/t21-/m0/s1
InChIKeyQZARHVIBTUAKSH-NRFANRHFSA-N
MW475.58 g/mol
LogP3.77
Rot. Bonds11

About N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide

N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide (PubChem CID 138554252) has the molecular formula C25H35F2N5O2 and a molecular weight of 475.58 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide
PubChem CID138554252
Molecular FormulaC25H35F2N5O2
Molecular Weight475.58 g/mol
Exact Mass475.28
IUPAC NameN-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@H](CCN1CCCCC1)C(=O)NCc1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C25H35F2N5O2/c1-17(2)6-9-24(33)31-21(10-13-32-11-4-3-5-12-32)25(34)29-16-23-28-15-22(30-23)19-8-7-18(26)14-20(19)27/h7-8,14-15,17,21H,3-6,9-13,16H2,1-2H3,(H,28,30)(H,29,34)(H,31,33)/t21-/m0/s1
InChIKeyQZARHVIBTUAKSH-NRFANRHFSA-N
XLogP3.77
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide 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 N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide?
The IUPAC name of N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide (CID 138554252) is N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide?
The canonical SMILES for N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide is CC(C)CCC(=O)N[C@@H](CCN1CCCCC1)C(=O)NCc1ncc(-c2ccc(F)cc2F)[nH]1.
What is the InChIKey of N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide?
The InChIKey is QZARHVIBTUAKSH-NRFANRHFSA-N. The full InChI is InChI=1S/C25H35F2N5O2/c1-17(2)6-9-24(33)31-21(10-13-32-11-4-3-5-12-32)25(34)29-16-23-28-15-22(30-23)19-8-7-18(26)14-20(19)27/h7-8,14-15,17,21H,3-6,9-13,16H2,1-2H3,(H,28,30)(H,29,34)(H,31,33)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide?
N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide has a molecular weight of 475.58 g/mol, XLogP of 3.77, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]methylamino]-1-oxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 138554252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).