3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one

C20H16FN5O — CID 154656895

IUPAC3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCNc1cc(-c2nc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C20H16FN5O/c1-11-9-13(10-16(22-2)24-11)18-17(12-3-5-14(21)6-4-12)26-20-19(25-18)15(27)7-8-23-20/h3-10H,1-2H3,(H,22,24)(H,23,26,27)
InChIKeySESCCNIHKCXXKV-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.54
Rot. Bonds3

About 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one

3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656895) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656895
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCNc1cc(-c2nc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C20H16FN5O/c1-11-9-13(10-16(22-2)24-11)18-17(12-3-5-14(21)6-4-12)26-20-19(25-18)15(27)7-8-23-20/h3-10H,1-2H3,(H,22,24)(H,23,26,27)
InChIKeySESCCNIHKCXXKV-UHFFFAOYSA-N
XLogP3.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656895) is 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one is CNc1cc(-c2nc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc(C)n1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is SESCCNIHKCXXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-11-9-13(10-16(22-2)24-11)18-17(12-3-5-14(21)6-4-12)26-20-19(25-18)15(27)7-8-23-20/h3-10H,1-2H3,(H,22,24)(H,23,26,27).
What are the key properties of 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one?
3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 361.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[2-methyl-6-(methylamino)-4-pyridinyl]-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).