6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine

C21H20FN7 — CID 56837785

IUPAC6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(-c2ccnn2C)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN7/c1-14(15-3-5-17(22)6-4-15)26-19-11-16(18-7-8-25-29(18)2)12-20(27-19)28-21-13-23-9-10-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1
InChIKeyLBZOAGGAZJBFGS-AWEZNQCLSA-N
MW389.44 g/mol
LogP4.33
Rot. Bonds6

About 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine

6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine (PubChem CID 56837785) has the molecular formula C21H20FN7 and a molecular weight of 389.44 g/mol. Its IUPAC name is 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
PubChem CID56837785
Molecular FormulaC21H20FN7
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(-c2ccnn2C)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN7/c1-14(15-3-5-17(22)6-4-15)26-19-11-16(18-7-8-25-29(18)2)12-20(27-19)28-21-13-23-9-10-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1
InChIKeyLBZOAGGAZJBFGS-AWEZNQCLSA-N
XLogP4.33
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine (CID 56837785) is 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine is C[C@H](Nc1cc(-c2ccnn2C)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The InChIKey is LBZOAGGAZJBFGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20FN7/c1-14(15-3-5-17(22)6-4-15)26-19-11-16(18-7-8-25-29(18)2)12-20(27-19)28-21-13-23-9-10-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1.
What are the key properties of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine has a molecular weight of 389.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 56837785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).