1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone

C24H26FN5O3S — CID 162185038

IUPAC1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone
SMILESCc1cnc2c(N)c(C(=O)C[C@H]3COc4cc(N5CC6CNCC(C5)O6)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H26FN5O3S/c1-12-6-28-22-21(26)23(34-24(22)29-12)19(31)3-13-2-17-18(25)4-14(5-20(17)32-11-13)30-9-15-7-27-8-16(10-30)33-15/h4-6,13,15-16,27H,2-3,7-11,26H2,1H3/t13-,15?,16?/m0/s1
InChIKeyZPNWCBKGOSYHGJ-JEYLPNPQSA-N
MW483.57 g/mol
LogP2.72
Rot. Bonds4

About 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone

1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone (PubChem CID 162185038) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone.

Molecular Properties

Compound Name1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone
PubChem CID162185038
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone
SMILESCc1cnc2c(N)c(C(=O)C[C@H]3COc4cc(N5CC6CNCC(C5)O6)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H26FN5O3S/c1-12-6-28-22-21(26)23(34-24(22)29-12)19(31)3-13-2-17-18(25)4-14(5-20(17)32-11-13)30-9-15-7-27-8-16(10-30)33-15/h4-6,13,15-16,27H,2-3,7-11,26H2,1H3/t13-,15?,16?/m0/s1
InChIKeyZPNWCBKGOSYHGJ-JEYLPNPQSA-N
XLogP2.72
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone?
The IUPAC name of 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone (CID 162185038) is 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone.
What is the SMILES notation for 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone?
The canonical SMILES for 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone is Cc1cnc2c(N)c(C(=O)C[C@H]3COc4cc(N5CC6CNCC(C5)O6)cc(F)c4C3)sc2n1.
What is the InChIKey of 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone?
The InChIKey is ZPNWCBKGOSYHGJ-JEYLPNPQSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-12-6-28-22-21(26)23(34-24(22)29-12)19(31)3-13-2-17-18(25)4-14(5-20(17)32-11-13)30-9-15-7-27-8-16(10-30)33-15/h4-6,13,15-16,27H,2-3,7-11,26H2,1H3/t13-,15?,16?/m0/s1.
What are the key properties of 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone?
1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone has a molecular weight of 483.57 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-[(3S)-5-fluoro-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]ethanone is sourced from PubChem (CID 162185038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).