2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide

C20H19F2N5OS — CID 140844654

IUPAC2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1C(F)F)c1csc2ncc(N3C[C@@H]4CC[C@@H]3CN4)nc12
InChIInChI=1S/C20H19F2N5OS/c21-18(22)13-3-1-2-4-15(13)25-19(28)14-10-29-20-17(14)26-16(8-24-20)27-9-11-5-6-12(27)7-23-11/h1-4,8,10-12,18,23H,5-7,9H2,(H,25,28)/t11-,12+/m0/s1
InChIKeyRLCABAJEDOBNTJ-NWDGAFQWSA-N
MW415.47 g/mol
LogP3.82
Rot. Bonds4

About 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide

2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide (PubChem CID 140844654) has the molecular formula C20H19F2N5OS and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide
PubChem CID140844654
Molecular FormulaC20H19F2N5OS
Molecular Weight415.47 g/mol
Exact Mass415.13
IUPAC Name2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1C(F)F)c1csc2ncc(N3C[C@@H]4CC[C@@H]3CN4)nc12
InChIInChI=1S/C20H19F2N5OS/c21-18(22)13-3-1-2-4-15(13)25-19(28)14-10-29-20-17(14)26-16(8-24-20)27-9-11-5-6-12(27)7-23-11/h1-4,8,10-12,18,23H,5-7,9H2,(H,25,28)/t11-,12+/m0/s1
InChIKeyRLCABAJEDOBNTJ-NWDGAFQWSA-N
XLogP3.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide
CID 134263347
2-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
CID 134263403
N-(2-bromothiophen-3-yl)-2-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]thieno[2,3-b]pyrazine-7-carboxamide
CID 134263428
5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[4-(difluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516677
N-[(3E,5E)-5-bromohepta-1,3,5-trien-4-yl]-2-(2,5-diazabicyclo[2.2.2]octan-2-yl)thieno[2,3-b]pyrazine-7-carboxamide;3,3-difluorobutan-2-one
CID 145153462
N-(2-bromophenyl)-5-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516623
5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516595
N-(4-cyanothiophen-3-yl)-5-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134263144
5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[1-(difluoromethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516666
2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyrazine-7-carboxamide
CID 122515289
N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
CID 122515314
5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516642

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide (CID 140844654) is 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide is O=C(Nc1ccccc1C(F)F)c1csc2ncc(N3C[C@@H]4CC[C@@H]3CN4)nc12.
What is the InChIKey of 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide?
The InChIKey is RLCABAJEDOBNTJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C20H19F2N5OS/c21-18(22)13-3-1-2-4-15(13)25-19(28)14-10-29-20-17(14)26-16(8-24-20)27-9-11-5-6-12(27)7-23-11/h1-4,8,10-12,18,23H,5-7,9H2,(H,25,28)/t11-,12+/m0/s1.
What are the key properties of 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide?
2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-[2-(difluoromethyl)phenyl]thieno[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 140844654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).