4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine

C21H18FN5 — CID 45488159

IUPAC4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1cc(-c2nc3cccnc3nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H18FN5/c1-13(2)25-18-12-15(9-11-23-18)20-19(14-5-7-16(22)8-6-14)27-21-17(26-20)4-3-10-24-21/h3-13H,1-2H3,(H,23,25)
InChIKeyWFYZCSNCAWYAKG-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.71
Rot. Bonds4

About 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine

4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine (PubChem CID 45488159) has the molecular formula C21H18FN5 and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine
PubChem CID45488159
Molecular FormulaC21H18FN5
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC Name4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1cc(-c2nc3cccnc3nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H18FN5/c1-13(2)25-18-12-15(9-11-23-18)20-19(14-5-7-16(22)8-6-14)27-21-17(26-20)4-3-10-24-21/h3-13H,1-2H3,(H,23,25)
InChIKeyWFYZCSNCAWYAKG-UHFFFAOYSA-N
XLogP4.71
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine (CID 45488159) is 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine is CC(C)Nc1cc(-c2nc3cccnc3nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is WFYZCSNCAWYAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5/c1-13(2)25-18-12-15(9-11-23-18)20-19(14-5-7-16(22)8-6-14)27-21-17(26-20)4-3-10-24-21/h3-13H,1-2H3,(H,23,25).
What are the key properties of 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine?
4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 359.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 45488159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).