N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide

C19H21F4N5O — CID 118326730

IUPACN-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide
SMILESCc1cn(C)c(C(=O)Nc2cccc([C@@]3(C)N=C(N)[C@](C)(F)CC3(F)F)c2F)n1
InChIInChI=1S/C19H21F4N5O/c1-10-8-28(4)14(25-10)15(29)26-12-7-5-6-11(13(12)20)18(3)19(22,23)9-17(2,21)16(24)27-18/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,29)/t17-,18-/m1/s1
InChIKeyPQPQOPLWTDFFNR-QZTJIDSGSA-N
MW411.40 g/mol
LogP3.46
Rot. Bonds3

About N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide

N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide (PubChem CID 118326730) has the molecular formula C19H21F4N5O and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide
PubChem CID118326730
Molecular FormulaC19H21F4N5O
Molecular Weight411.40 g/mol
Exact Mass411.17
IUPAC NameN-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide
SMILESCc1cn(C)c(C(=O)Nc2cccc([C@@]3(C)N=C(N)[C@](C)(F)CC3(F)F)c2F)n1
InChIInChI=1S/C19H21F4N5O/c1-10-8-28(4)14(25-10)15(29)26-12-7-5-6-11(13(12)20)18(3)19(22,23)9-17(2,21)16(24)27-18/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,29)/t17-,18-/m1/s1
InChIKeyPQPQOPLWTDFFNR-QZTJIDSGSA-N
XLogP3.46
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-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-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide
CID 118326715
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118326738
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 118307972
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 118307941
2-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methylfuran-2-yl)ethanone
CID 158303314
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
CID 118307969
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-2-fluorophenyl]-5-(1,3-thiazol-2-yl)pyridine-2-carboxamide;formic acid
CID 162090336
2-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 159098774
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
N-[(2R,5R)-6-amino-3,3,5-trifluoro-5-methylspiro[4H-pyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 126595528
4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 59733306

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide?
The IUPAC name of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide (CID 118326730) is N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide.
What is the SMILES notation for N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide?
The canonical SMILES for N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide is Cc1cn(C)c(C(=O)Nc2cccc([C@@]3(C)N=C(N)[C@](C)(F)CC3(F)F)c2F)n1.
What is the InChIKey of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide?
The InChIKey is PQPQOPLWTDFFNR-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H21F4N5O/c1-10-8-28(4)14(25-10)15(29)26-12-7-5-6-11(13(12)20)18(3)19(22,23)9-17(2,21)16(24)27-18/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,29)/t17-,18-/m1/s1.
What are the key properties of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide?
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide has a molecular weight of 411.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 118326730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).