N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine

C21H21FN6 — CID 133309807

IUPACN-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1ccc2nccnc2n1
InChIInChI=1S/C21H21FN6/c1-27(20-10-9-18-21(25-20)24-12-11-23-18)13-3-4-17-14-19(28(2)26-17)15-5-7-16(22)8-6-15/h5-12,14H,3-4,13H2,1-2H3
InChIKeyGVLJYVXWJJFVSQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.63
Rot. Bonds6

About N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine

N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine (PubChem CID 133309807) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine
PubChem CID133309807
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC NameN-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1ccc2nccnc2n1
InChIInChI=1S/C21H21FN6/c1-27(20-10-9-18-21(25-20)24-12-11-23-18)13-3-4-17-14-19(28(2)26-17)15-5-7-16(22)8-6-15/h5-12,14H,3-4,13H2,1-2H3
InChIKeyGVLJYVXWJJFVSQ-UHFFFAOYSA-N
XLogP3.63
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine (CID 133309807) is N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine is CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1ccc2nccnc2n1.
What is the InChIKey of N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine?
The InChIKey is GVLJYVXWJJFVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-27(20-10-9-18-21(25-20)24-12-11-23-18)13-3-4-17-14-19(28(2)26-17)15-5-7-16(22)8-6-15/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine?
N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine has a molecular weight of 376.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methylpyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 133309807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).