6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine

C19H18FN7 — CID 133284210

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCc3ccc(-n4ccnc4)c(F)c3)n2)n1
InChIInChI=1S/C19H18FN7/c1-13-7-14(2)27(25-13)19-11-22-10-18(24-19)23-9-15-3-4-17(16(20)8-15)26-6-5-21-12-26/h3-8,10-12H,9H2,1-2H3,(H,23,24)
InChIKeyJWTWXKHAMDJXOT-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.22
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine (PubChem CID 133284210) has the molecular formula C19H18FN7 and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine
PubChem CID133284210
Molecular FormulaC19H18FN7
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCc3ccc(-n4ccnc4)c(F)c3)n2)n1
InChIInChI=1S/C19H18FN7/c1-13-7-14(2)27(25-13)19-11-22-10-18(24-19)23-9-15-3-4-17(16(20)8-15)26-6-5-21-12-26/h3-8,10-12H,9H2,1-2H3,(H,23,24)
InChIKeyJWTWXKHAMDJXOT-UHFFFAOYSA-N
XLogP3.22
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine with MolForge

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyrazin-2-amine
CID 133283698
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133283395
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
N-benzyl-6-imidazol-1-ylpyrazin-2-amine
CID 10060708
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
CID 47958616
N-[2-(3,4-difluorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133291797
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine
CID 133283995
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 47983114

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine (CID 133284210) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCc3ccc(-n4ccnc4)c(F)c3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine?
The InChIKey is JWTWXKHAMDJXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7/c1-13-7-14(2)27(25-13)19-11-22-10-18(24-19)23-9-15-3-4-17(16(20)8-15)26-6-5-21-12-26/h3-8,10-12H,9H2,1-2H3,(H,23,24).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine has a molecular weight of 363.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133284210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).