1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea

C19H14F2N6O — CID 127025030

IUPAC1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea
SMILESNc1nccn2c(-c3cccc(NC(=O)Nc4ccc(F)cc4F)c3)cnc12
InChIInChI=1S/C19H14F2N6O/c20-12-4-5-15(14(21)9-12)26-19(28)25-13-3-1-2-11(8-13)16-10-24-18-17(22)23-6-7-27(16)18/h1-10H,(H2,22,23)(H2,25,26,28)
InChIKeyIWUQNWSUJKXWBY-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.90
Rot. Bonds3

About 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea

1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea (PubChem CID 127025030) has the molecular formula C19H14F2N6O and a molecular weight of 380.36 g/mol. Its IUPAC name is 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea
PubChem CID127025030
Molecular FormulaC19H14F2N6O
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea
SMILESNc1nccn2c(-c3cccc(NC(=O)Nc4ccc(F)cc4F)c3)cnc12
InChIInChI=1S/C19H14F2N6O/c20-12-4-5-15(14(21)9-12)26-19(28)25-13-3-1-2-11(8-13)16-10-24-18-17(22)23-6-7-27(16)18/h1-10H,(H2,22,23)(H2,25,26,28)
InChIKeyIWUQNWSUJKXWBY-UHFFFAOYSA-N
XLogP3.90
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea (CID 127025030) is 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea is Nc1nccn2c(-c3cccc(NC(=O)Nc4ccc(F)cc4F)c3)cnc12.
What is the InChIKey of 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is IWUQNWSUJKXWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O/c20-12-4-5-15(14(21)9-12)26-19(28)25-13-3-1-2-11(8-13)16-10-24-18-17(22)23-6-7-27(16)18/h1-10H,(H2,22,23)(H2,25,26,28).
What are the key properties of 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea?
1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 380.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 127025030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).