7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C25H28FN5OS — CID 158087805

IUPAC7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CC6CCC65C4)c(F)c3)sc2n1
InChIInChI=1S/C25H28FN5OS/c1-13(9-29-23(32)22-20(27)21-24(33-22)30-14(2)10-28-21)15-3-4-19(18(26)7-15)31-11-17-8-16-5-6-25(16,17)12-31/h3-4,7,10,13,16-17H,5-6,8-9,11-12,27H2,1-2H3,(H,29,32)/t13-,16?,17?,25?/m1/s1
InChIKeySNFYEDUHQZEPHG-XOGRIAFXSA-N
MW465.60 g/mol
LogP4.49
Rot. Bonds5

About 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 158087805) has the molecular formula C25H28FN5OS and a molecular weight of 465.60 g/mol. Its IUPAC name is 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID158087805
Molecular FormulaC25H28FN5OS
Molecular Weight465.60 g/mol
Exact Mass465.20
IUPAC Name7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CC6CCC65C4)c(F)c3)sc2n1
InChIInChI=1S/C25H28FN5OS/c1-13(9-29-23(32)22-20(27)21-24(33-22)30-14(2)10-28-21)15-3-4-19(18(26)7-15)31-11-17-8-16-5-6-25(16,17)12-31/h3-4,7,10,13,16-17H,5-6,8-9,11-12,27H2,1-2H3,(H,29,32)/t13-,16?,17?,25?/m1/s1
InChIKeySNFYEDUHQZEPHG-XOGRIAFXSA-N
XLogP4.49
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Related Compounds

7-amino-N-[(2S)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 139578253
7-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 139578264
7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 139578266
7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
CID 141734631
7-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
CID 145955564
7-amino-N-[2-(2,5-difluoro-4-piperazin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 145958090
3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[2,3-b]pyridine-2-carboxamide
CID 16029520
7-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
CID 145952535
7-amino-N-[2-[3-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 139578265
7-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 139578281
7-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 145946696
US10301306, Example 60
CID 146012391

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 158087805) is 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CC6CCC65C4)c(F)c3)sc2n1.
What is the InChIKey of 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is SNFYEDUHQZEPHG-XOGRIAFXSA-N. The full InChI is InChI=1S/C25H28FN5OS/c1-13(9-29-23(32)22-20(27)21-24(33-22)30-14(2)10-28-21)15-3-4-19(18(26)7-15)31-11-17-8-16-5-6-25(16,17)12-31/h3-4,7,10,13,16-17H,5-6,8-9,11-12,27H2,1-2H3,(H,29,32)/t13-,16?,17?,25?/m1/s1.
What are the key properties of 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2S)-2-[4-(8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 158087805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).