3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide

C23H23F3N4OS — CID 159461799

IUPAC3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide
SMILESC[C@@H](CNC(=O)c1sc2ncc(F)cc2c1N)c1cc(F)c(N2CC3CC(C3)C2)cc1F
InChIInChI=1S/C23H23F3N4OS/c1-11(7-28-22(31)21-20(27)16-4-14(24)8-29-23(16)32-21)15-5-18(26)19(6-17(15)25)30-9-12-2-13(3-12)10-30/h4-6,8,11-13H,2-3,7,9-10,27H2,1H3,(H,28,31)/t11-,12?,13?/m0/s1
InChIKeyWXAPTBYUFRUKLV-HIFPTAJRSA-N
MW460.53 g/mol
LogP4.68
Rot. Bonds5

About 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159461799) has the molecular formula C23H23F3N4OS and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide
PubChem CID159461799
Molecular FormulaC23H23F3N4OS
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Name3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide
SMILESC[C@@H](CNC(=O)c1sc2ncc(F)cc2c1N)c1cc(F)c(N2CC3CC(C3)C2)cc1F
InChIInChI=1S/C23H23F3N4OS/c1-11(7-28-22(31)21-20(27)16-4-14(24)8-29-23(16)32-21)15-5-18(26)19(6-17(15)25)30-9-12-2-13(3-12)10-30/h4-6,8,11-13H,2-3,7,9-10,27H2,1H3,(H,28,31)/t11-,12?,13?/m0/s1
InChIKeyWXAPTBYUFRUKLV-HIFPTAJRSA-N
XLogP4.68
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 158755500
7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 158460930
3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 158755499
3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 161314250
N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 157416027
3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 157187550
7-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[2-[2,5-difluoro-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 162182033
3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 158755502
N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 155510581
3-amino-N-[(2R)-2-[3-cyano-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 153311061
3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2R)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 160559977
3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 157335931

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide (CID 159461799) is 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide is C[C@@H](CNC(=O)c1sc2ncc(F)cc2c1N)c1cc(F)c(N2CC3CC(C3)C2)cc1F.
What is the InChIKey of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WXAPTBYUFRUKLV-HIFPTAJRSA-N. The full InChI is InChI=1S/C23H23F3N4OS/c1-11(7-28-22(31)21-20(27)16-4-14(24)8-29-23(16)32-21)15-5-18(26)19(6-17(15)25)30-9-12-2-13(3-12)10-30/h4-6,8,11-13H,2-3,7,9-10,27H2,1H3,(H,28,31)/t11-,12?,13?/m0/s1.
What are the key properties of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159461799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).