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

C18H18BrF4N5O — CID 118307976

IUPACN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide
SMILESCn1cc(Br)nc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c1
InChIInChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17+/m0/s1
InChIKeyHOESHHMMCCAKCR-DLBZAZTESA-N
MW476.27 g/mol
LogP3.91
Rot. Bonds3

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

N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide (PubChem CID 118307976) has the molecular formula C18H18BrF4N5O and a molecular weight of 476.27 g/mol. Its IUPAC name is N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide
PubChem CID118307976
Molecular FormulaC18H18BrF4N5O
Molecular Weight476.27 g/mol
Exact Mass475.06
IUPAC NameN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide
SMILESCn1cc(Br)nc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c1
InChIInChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17+/m0/s1
InChIKeyHOESHHMMCCAKCR-DLBZAZTESA-N
XLogP3.91
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.27
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide with MolForge

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Related Compounds

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CID 19066005
1-Ethyl-3-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)urea
CID 19066013
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CID 3725533
1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethyl)phenyl)-1H-imidazole-2-carboxamide
CID 44431921
N-(4-tert-butylphenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-imidazole-2-carboxamide
CID 44431925
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-14-yl)acetamide
CID 19065997
(7-Oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)urea
CID 19066056
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)acetamide
CID 44370274
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide
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N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide
CID 118307952
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide
CID 118307981

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide (CID 118307976) is N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide is Cn1cc(Br)nc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c1.
What is the InChIKey of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide?
The InChIKey is HOESHHMMCCAKCR-DLBZAZTESA-N. The full InChI is InChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17+/m0/s1.
What are the key properties of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide?
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide has a molecular weight of 476.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-4-bromo-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 118307976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).