(E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine

C26H27F2N5O — CID 166121782

IUPAC(E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine
SMILESCc1nc2cc(C3CCOC(C(/C=N/C4CC4)=C/N)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C26H27F2N5O/c1-14-15(2)32-26-23(31-14)11-22(33-25(26)20-6-3-18(27)10-21(20)28)16-7-8-34-24(9-16)17(12-29)13-30-19-4-5-19/h3,6,10-13,16,19,24H,4-5,7-9,29H2,1-2H3/b17-12+,30-13+
InChIKeySOJVPHDKMBZTDL-XPBMKMPBSA-N
MW463.53 g/mol
LogP4.93
Rot. Bonds5

About (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine

(E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine (PubChem CID 166121782) has the molecular formula C26H27F2N5O and a molecular weight of 463.53 g/mol. Its IUPAC name is (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine
PubChem CID166121782
Molecular FormulaC26H27F2N5O
Molecular Weight463.53 g/mol
Exact Mass463.22
IUPAC Name(E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine
SMILESCc1nc2cc(C3CCOC(C(/C=N/C4CC4)=C/N)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C26H27F2N5O/c1-14-15(2)32-26-23(31-14)11-22(33-25(26)20-6-3-18(27)10-21(20)28)16-7-8-34-24(9-16)17(12-29)13-30-19-4-5-19/h3,6,10-13,16,19,24H,4-5,7-9,29H2,1-2H3/b17-12+,30-13+
InChIKeySOJVPHDKMBZTDL-XPBMKMPBSA-N
XLogP4.93
TPSA86.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine with MolForge

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Related Compounds

5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045169
7-[(4R)-2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]oxan-4-yl]-3-chloro-9-(2,4-difluorophenyl)-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 176675679
5-[(2R)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138493
12-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]oxan-4-yl]-10-(4-chloro-2-fluorophenyl)-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 177151896
7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine
CID 166123291
11-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methyloxan-4-yl]-13-(4-chloro-2-fluorophenyl)-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177152061
7-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
CID 157045817
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157044391
5-(2-fluoro-4-methylphenyl)-2,3-dimethyl-7-(oxan-4-yl)pyrido[3,4-b]pyrazine;1-methylpyrazole
CID 157045738
5-(4-chloro-2-fluorophenyl)-7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[3,4-b]pyrazine
CID 166561383
7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157045292
2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
CID 166121771

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine?
The IUPAC name of (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine (CID 166121782) is (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine.
What is the SMILES notation for (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine?
The canonical SMILES for (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine is Cc1nc2cc(C3CCOC(C(/C=N/C4CC4)=C/N)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine?
The InChIKey is SOJVPHDKMBZTDL-XPBMKMPBSA-N. The full InChI is InChI=1S/C26H27F2N5O/c1-14-15(2)32-26-23(31-14)11-22(33-25(26)20-6-3-18(27)10-21(20)28)16-7-8-34-24(9-16)17(12-29)13-30-19-4-5-19/h3,6,10-13,16,19,24H,4-5,7-9,29H2,1-2H3/b17-12+,30-13+.
What are the key properties of (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine?
(E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine has a molecular weight of 463.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropylimino-2-[4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]prop-1-en-1-amine is sourced from PubChem (CID 166121782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).