1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine

C26H32FN7O — CID 170324546

IUPAC1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine
SMILESCc1c(N2CCc3cnc(Nc4ccc(NCCN(C)C)c(F)c4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H32FN7O/c1-17-23(15-31-26-25(17)29-8-11-35-26)34-9-6-18-14-30-24(12-19(18)16-34)32-20-4-5-22(21(27)13-20)28-7-10-33(2)3/h4-5,12-15,28-29H,6-11,16H2,1-3H3,(H,30,32)
InChIKeyMCHDIRLDTQBJMX-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.01
Rot. Bonds7

About 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine

1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine (PubChem CID 170324546) has the molecular formula C26H32FN7O and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine
PubChem CID170324546
Molecular FormulaC26H32FN7O
Molecular Weight477.59 g/mol
Exact Mass477.27
IUPAC Name1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine
SMILESCc1c(N2CCc3cnc(Nc4ccc(NCCN(C)C)c(F)c4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H32FN7O/c1-17-23(15-31-26-25(17)29-8-11-35-26)34-9-6-18-14-30-24(12-19(18)16-34)32-20-4-5-22(21(27)13-20)28-7-10-33(2)3/h4-5,12-15,28-29H,6-11,16H2,1-3H3,(H,30,32)
InChIKeyMCHDIRLDTQBJMX-UHFFFAOYSA-N
XLogP4.01
TPSA77.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine (CID 170324546) is 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine is Cc1c(N2CCc3cnc(Nc4ccc(NCCN(C)C)c(F)c4)cc3C2)cnc2c1NCCO2.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine?
The InChIKey is MCHDIRLDTQBJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O/c1-17-23(15-31-26-25(17)29-8-11-35-26)34-9-6-18-14-30-24(12-19(18)16-34)32-20-4-5-22(21(27)13-20)28-7-10-33(2)3/h4-5,12-15,28-29H,6-11,16H2,1-3H3,(H,30,32).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine?
1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine has a molecular weight of 477.59 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]benzene-1,4-diamine is sourced from PubChem (CID 170324546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).