3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C23H19F2N5O — CID 89488087

IUPAC3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCCn1nc(-c2cccnc2)cc1-c1cnc2c(c1)NCC(c1c(F)cccc1F)O2
InChIInChI=1S/C23H19F2N5O/c1-2-30-20(10-18(29-30)14-5-4-8-26-11-14)15-9-19-23(28-12-15)31-21(13-27-19)22-16(24)6-3-7-17(22)25/h3-12,21,27H,2,13H2,1H3
InChIKeyFDLKKFBHBSTURJ-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.85
Rot. Bonds4

About 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 89488087) has the molecular formula C23H19F2N5O and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID89488087
Molecular FormulaC23H19F2N5O
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCCn1nc(-c2cccnc2)cc1-c1cnc2c(c1)NCC(c1c(F)cccc1F)O2
InChIInChI=1S/C23H19F2N5O/c1-2-30-20(10-18(29-30)14-5-4-8-26-11-14)15-9-19-23(28-12-15)31-21(13-27-19)22-16(24)6-3-7-17(22)25/h3-12,21,27H,2,13H2,1H3
InChIKeyFDLKKFBHBSTURJ-UHFFFAOYSA-N
XLogP4.85
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 89488087) is 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is CCn1nc(-c2cccnc2)cc1-c1cnc2c(c1)NCC(c1c(F)cccc1F)O2.
What is the InChIKey of 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is FDLKKFBHBSTURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O/c1-2-30-20(10-18(29-30)14-5-4-8-26-11-14)15-9-19-23(28-12-15)31-21(13-27-19)22-16(24)6-3-7-17(22)25/h3-12,21,27H,2,13H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 419.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-7-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 89488087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).