N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C39H35F6N7O6 — CID 159573330

IUPACN-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC1(C)OCC(COc2cncc(NC(=O)N3CCOc4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)O1.FC(F)(F)c1cccc(-c2ccc3c(n2)NCCO3)c1
InChIInChI=1S/C25H24F3N5O5.C14H11F3N2O/c1-24(2)37-14-17(38-24)13-36-21-12-29-11-20(31-21)32-23(34)33-8-9-35-19-7-6-18(30-22(19)33)15-4-3-5-16(10-15)25(26,27)28;15-14(16,17)10-3-1-2-9(8-10)11-4-5-12-13(19-11)18-6-7-20-12/h3-7,10-12,17H,8-9,13-14H2,1-2H3,(H,31,32,34);1-5,8H,6-7H2,(H,18,19)
InChIKeyMICBDQOLFJLKJI-UHFFFAOYSA-N
MW811.74 g/mol
LogP8.09
Rot. Bonds6

About N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 159573330) has the molecular formula C39H35F6N7O6 and a molecular weight of 811.74 g/mol. Its IUPAC name is N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound NameN-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID159573330
Molecular FormulaC39H35F6N7O6
Molecular Weight811.74 g/mol
Exact Mass811.26
IUPAC NameN-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC1(C)OCC(COc2cncc(NC(=O)N3CCOc4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)O1.FC(F)(F)c1cccc(-c2ccc3c(n2)NCCO3)c1
InChIInChI=1S/C25H24F3N5O5.C14H11F3N2O/c1-24(2)37-14-17(38-24)13-36-21-12-29-11-20(31-21)32-23(34)33-8-9-35-19-7-6-18(30-22(19)33)15-4-3-5-16(10-15)25(26,27)28;15-14(16,17)10-3-1-2-9(8-10)11-4-5-12-13(19-11)18-6-7-20-12/h3-7,10-12,17H,8-9,13-14H2,1-2H3,(H,31,32,34);1-5,8H,6-7H2,(H,18,19)
InChIKeyMICBDQOLFJLKJI-UHFFFAOYSA-N
XLogP8.09
TPSA142.08 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.74
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 159573330) is N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is CC1(C)OCC(COc2cncc(NC(=O)N3CCOc4ccc(-c5cccc(C(F)(F)F)c5)nc43)n2)O1.FC(F)(F)c1cccc(-c2ccc3c(n2)NCCO3)c1.
What is the InChIKey of N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is MICBDQOLFJLKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O5.C14H11F3N2O/c1-24(2)37-14-17(38-24)13-36-21-12-29-11-20(31-21)32-23(34)33-8-9-35-19-7-6-18(30-22(19)33)15-4-3-5-16(10-15)25(26,27)28;15-14(16,17)10-3-1-2-9(8-10)11-4-5-12-13(19-11)18-6-7-20-12/h3-7,10-12,17H,8-9,13-14H2,1-2H3,(H,31,32,34);1-5,8H,6-7H2,(H,18,19).
What are the key properties of N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 811.74 g/mol, XLogP of 8.09, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrazin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 159573330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).