6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

C27H28FN5O3 — CID 45273795

IUPAC6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(Cn2c(=O)c(NCCN3CCOCC3)nc3ccc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C27H28FN5O3/c1-35-22-8-2-19(3-9-22)18-33-26-24(11-10-23(31-26)20-4-6-21(28)7-5-20)30-25(27(33)34)29-12-13-32-14-16-36-17-15-32/h2-11H,12-18H2,1H3,(H,29,30)
InChIKeyFNHUFWBCAUYKDS-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.40
Rot. Bonds8

About 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45273795) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45273795
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(Cn2c(=O)c(NCCN3CCOCC3)nc3ccc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C27H28FN5O3/c1-35-22-8-2-19(3-9-22)18-33-26-24(11-10-23(31-26)20-4-6-21(28)7-5-20)30-25(27(33)34)29-12-13-32-14-16-36-17-15-32/h2-11H,12-18H2,1H3,(H,29,30)
InChIKeyFNHUFWBCAUYKDS-UHFFFAOYSA-N
XLogP3.40
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45273795) is 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is COc1ccc(Cn2c(=O)c(NCCN3CCOCC3)nc3ccc(-c4ccc(F)cc4)nc32)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is FNHUFWBCAUYKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-35-22-8-2-19(3-9-22)18-33-26-24(11-10-23(31-26)20-4-6-21(28)7-5-20)30-25(27(33)34)29-12-13-32-14-16-36-17-15-32/h2-11H,12-18H2,1H3,(H,29,30).
What are the key properties of 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 489.55 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45273795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).