N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C28H26F5N7O2S — CID 138458645

IUPACN-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@H]1CN(c2cc(F)c(C3=CCCN(c4ncc(C#N)s4)C3)c(F)c2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
InChIInChI=1S/C28H26F5N7O2S/c1-15-13-39(7-6-38(15)2)21-9-20(29)23(16-4-3-5-40(14-16)27-36-11-17(10-34)43-27)24(30)25(21)37-26(42)18-12-35-22(41)8-19(18)28(31,32)33/h4,8-9,11-12,15H,3,5-7,13-14H2,1-2H3,(H,35,41)(H,37,42)/t15-/m0/s1
InChIKeyFOEICTDUZIOMIA-HNNXBMFYSA-N
MW619.62 g/mol
LogP4.69
Rot. Bonds5

About N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 138458645) has the molecular formula C28H26F5N7O2S and a molecular weight of 619.62 g/mol. Its IUPAC name is N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID138458645
Molecular FormulaC28H26F5N7O2S
Molecular Weight619.62 g/mol
Exact Mass619.18
IUPAC NameN-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@H]1CN(c2cc(F)c(C3=CCCN(c4ncc(C#N)s4)C3)c(F)c2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C
InChIInChI=1S/C28H26F5N7O2S/c1-15-13-39(7-6-38(15)2)21-9-20(29)23(16-4-3-5-40(14-16)27-36-11-17(10-34)43-27)24(30)25(21)37-26(42)18-12-35-22(41)8-19(18)28(31,32)33/h4,8-9,11-12,15H,3,5-7,13-14H2,1-2H3,(H,35,41)(H,37,42)/t15-/m0/s1
InChIKeyFOEICTDUZIOMIA-HNNXBMFYSA-N
XLogP4.69
TPSA108.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.62
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-(3,4-dimethylpiperazin-1-yl)-2,4-difluoro-3-[1-(5-hydroxypyrimidin-2-yl)-2,5-dihydropyrrol-3-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138458734
N-[6-(3,4-dimethylpiperazin-1-yl)-2,4-difluoro-3-[1-(5-methoxypyrimidin-2-yl)-2,5-dihydropyrrol-3-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155355044
propan-2-yl 5-[2,6-difluoro-3-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138458058
N-[2,4-difluoro-3-[1-(2-methyl-1,3-thiazole-4-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-6-(3,4,5-trimethylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138458185
(3,3-difluorocyclobutyl) 5-[2,6-difluoro-3-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138458719
N-[3-[1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2,4-difluoro-6-(3,4,5-trimethylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138458846
N-[3-(4-carbamoyl-2,3-difluorophenyl)-2,4-difluoro-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138458692
N-[5-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-4-(difluoromethyl)-1,2-dihydropyridine-5-carboxamide
CID 138551421
N-[3-(cyclohexen-1-yl)-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 159041744
N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-2,4-difluoro-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138458811
N-[4-fluoro-5-[1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138541587
N-[2,4-difluoro-3-[2-(2-propan-2-ylmorpholin-4-yl)pyrimidin-5-yl]-6-(3,4,5-trimethylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138458651

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 138458645) is N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is C[C@H]1CN(c2cc(F)c(C3=CCCN(c4ncc(C#N)s4)C3)c(F)c2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C.
What is the InChIKey of N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FOEICTDUZIOMIA-HNNXBMFYSA-N. The full InChI is InChI=1S/C28H26F5N7O2S/c1-15-13-39(7-6-38(15)2)21-9-20(29)23(16-4-3-5-40(14-16)27-36-11-17(10-34)43-27)24(30)25(21)37-26(42)18-12-35-22(41)8-19(18)28(31,32)33/h4,8-9,11-12,15H,3,5-7,13-14H2,1-2H3,(H,35,41)(H,37,42)/t15-/m0/s1.
What are the key properties of N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 619.62 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(5-cyano-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-6-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4-difluorophenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138458645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).