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

C27H27F2N5O3 — CID 45272848

IUPAC6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(Cn2c(=O)c(NCCN3CCOCC3)nc3ccc(-c4ccc(F)c(F)c4)nc32)cc1
InChIInChI=1S/C27H27F2N5O3/c1-36-20-5-2-18(3-6-20)17-34-26-24(9-8-23(32-26)19-4-7-21(28)22(29)16-19)31-25(27(34)35)30-10-11-33-12-14-37-15-13-33/h2-9,16H,10-15,17H2,1H3,(H,30,31)
InChIKeyGGSBSGUIWFYXMM-UHFFFAOYSA-N
MW507.54 g/mol
LogP3.54
Rot. Bonds8

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

6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45272848) has the molecular formula C27H27F2N5O3 and a molecular weight of 507.54 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID45272848
Molecular FormulaC27H27F2N5O3
Molecular Weight507.54 g/mol
Exact Mass507.21
IUPAC Name6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(Cn2c(=O)c(NCCN3CCOCC3)nc3ccc(-c4ccc(F)c(F)c4)nc32)cc1
InChIInChI=1S/C27H27F2N5O3/c1-36-20-5-2-18(3-6-20)17-34-26-24(9-8-23(32-26)19-4-7-21(28)22(29)16-19)31-25(27(34)35)30-10-11-33-12-14-37-15-13-33/h2-9,16H,10-15,17H2,1H3,(H,30,31)
InChIKeyGGSBSGUIWFYXMM-UHFFFAOYSA-N
XLogP3.54
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (CID 45272848) is 6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-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)c(F)c4)nc32)cc1.
What is the InChIKey of 6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is GGSBSGUIWFYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O3/c1-36-20-5-2-18(3-6-20)17-34-26-24(9-8-23(32-26)19-4-7-21(28)22(29)16-19)31-25(27(34)35)30-10-11-33-12-14-37-15-13-33/h2-9,16H,10-15,17H2,1H3,(H,30,31).
What are the key properties of 6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 507.54 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45272848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).