7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C21H23FN6O2S — CID 137489176

IUPAC7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C21H23FN6O2S/c1-11-9-25-18-17(23)19(31-21(18)26-11)20(29)27-12-6-14-15(22)7-13(8-16(14)30-10-12)28-4-2-24-3-5-28/h7-9,12,24H,2-6,10,23H2,1H3,(H,27,29)/t12-/m1/s1
InChIKeyLHAIQKCFRPRUQJ-GFCCVEGCSA-N
MW442.52 g/mol
LogP1.86
Rot. Bonds3

About 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 137489176) has the molecular formula C21H23FN6O2S and a molecular weight of 442.52 g/mol. Its IUPAC name is 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID137489176
Molecular FormulaC21H23FN6O2S
Molecular Weight442.52 g/mol
Exact Mass442.16
IUPAC Name7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C21H23FN6O2S/c1-11-9-25-18-17(23)19(31-21(18)26-11)20(29)27-12-6-14-15(22)7-13(8-16(14)30-10-12)28-4-2-24-3-5-28/h7-9,12,24H,2-6,10,23H2,1H3,(H,27,29)/t12-/m1/s1
InChIKeyLHAIQKCFRPRUQJ-GFCCVEGCSA-N
XLogP1.86
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 137489176) is 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)cc(F)c4C3)sc2n1.
What is the InChIKey of 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is LHAIQKCFRPRUQJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H23FN6O2S/c1-11-9-25-18-17(23)19(31-21(18)26-11)20(29)27-12-6-14-15(22)7-13(8-16(14)30-10-12)28-4-2-24-3-5-28/h7-9,12,24H,2-6,10,23H2,1H3,(H,27,29)/t12-/m1/s1.
What are the key properties of 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 137489176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).