N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C21H21F4N7O — CID 177148181

IUPACN-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc(-n2cnc([C@H]3N[C@H]4CC[C@@H]3C4)c2)c(F)c1
InChIInChI=1S/C21H21F4N7O/c1-11-4-17(21(23,24)25)30-32(11)9-18(33)28-14-6-15(22)20(26-7-14)31-8-16(27-10-31)19-12-2-3-13(5-12)29-19/h4,6-8,10,12-13,19,29H,2-3,5,9H2,1H3,(H,28,33)/t12-,13+,19+/m1/s1
InChIKeyVVNDIWLEPZISBQ-NQCMUKECSA-N
MW463.44 g/mol
LogP3.38
Rot. Bonds5

About N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 177148181) has the molecular formula C21H21F4N7O and a molecular weight of 463.44 g/mol. Its IUPAC name is N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID177148181
Molecular FormulaC21H21F4N7O
Molecular Weight463.44 g/mol
Exact Mass463.17
IUPAC NameN-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc(-n2cnc([C@H]3N[C@H]4CC[C@@H]3C4)c2)c(F)c1
InChIInChI=1S/C21H21F4N7O/c1-11-4-17(21(23,24)25)30-32(11)9-18(33)28-14-6-15(22)20(26-7-14)31-8-16(27-10-31)19-12-2-3-13(5-12)29-19/h4,6-8,10,12-13,19,29H,2-3,5,9H2,1H3,(H,28,33)/t12-,13+,19+/m1/s1
InChIKeyVVNDIWLEPZISBQ-NQCMUKECSA-N
XLogP3.38
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

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Related Compounds

N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 177147967
N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126821780
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 45147569
1-ethyl-N-methyl-4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
CID 19519292
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519217
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
N-(5-chloro-1-methylpyrazol-4-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126833324
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519176
N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126841518
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519123
N-(3-chloro-4-fluorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 998379

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 177148181) is N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc(-n2cnc([C@H]3N[C@H]4CC[C@@H]3C4)c2)c(F)c1.
What is the InChIKey of N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VVNDIWLEPZISBQ-NQCMUKECSA-N. The full InChI is InChI=1S/C21H21F4N7O/c1-11-4-17(21(23,24)25)30-32(11)9-18(33)28-14-6-15(22)20(26-7-14)31-8-16(27-10-31)19-12-2-3-13(5-12)29-19/h4,6-8,10,12-13,19,29H,2-3,5,9H2,1H3,(H,28,33)/t12-,13+,19+/m1/s1.
What are the key properties of N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 463.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 177148181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).