3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C68H76F6N12O4S3 — CID 159032625

IUPAC3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC[C@@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CC[C@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.COc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1
InChIInChI=1S/2C23H26F2N4OS.C22H24F2N4O2S/c2*1-3-14-7-9-29(12-14)19-11-17(24)15(10-18(19)25)6-8-27-22(30)21-20(26)16-5-4-13(2)28-23(16)31-21;1-30-18-6-5-14-19(25)20(31-22(14)27-18)21(29)26-8-7-13-11-16(24)17(12-15(13)23)28-9-3-2-4-10-28/h2*4-5,10-11,14H,3,6-9,12,26H2,1-2H3,(H,27,30);5-6,11-12H,2-4,7-10,25H2,1H3,(H,26,29)/t2*14-;/m10./s1
InChIKeyJVBJFQZYTMIMLM-LMRQLNNXSA-N
MW1335.62 g/mol
LogP13.48
Rot. Bonds18

About 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159032625) has the molecular formula C68H76F6N12O4S3 and a molecular weight of 1335.62 g/mol. Its IUPAC name is 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID159032625
Molecular FormulaC68H76F6N12O4S3
Molecular Weight1335.62 g/mol
Exact Mass1334.52
IUPAC Name3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC[C@@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CC[C@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.COc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1
InChIInChI=1S/2C23H26F2N4OS.C22H24F2N4O2S/c2*1-3-14-7-9-29(12-14)19-11-17(24)15(10-18(19)25)6-8-27-22(30)21-20(26)16-5-4-13(2)28-23(16)31-21;1-30-18-6-5-14-19(25)20(31-22(14)27-18)21(29)26-8-7-13-11-16(24)17(12-15(13)23)28-9-3-2-4-10-28/h2*4-5,10-11,14H,3,6-9,12,26H2,1-2H3,(H,27,30);5-6,11-12H,2-4,7-10,25H2,1H3,(H,26,29)/t2*14-;/m10./s1
InChIKeyJVBJFQZYTMIMLM-LMRQLNNXSA-N
XLogP13.48
TPSA222.98 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001335.62
LogP ≤ 513.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 159032625) is 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CC[C@@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CC[C@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.COc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.
What is the InChIKey of 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JVBJFQZYTMIMLM-LMRQLNNXSA-N. The full InChI is InChI=1S/2C23H26F2N4OS.C22H24F2N4O2S/c2*1-3-14-7-9-29(12-14)19-11-17(24)15(10-18(19)25)6-8-27-22(30)21-20(26)16-5-4-13(2)28-23(16)31-21;1-30-18-6-5-14-19(25)20(31-22(14)27-18)21(29)26-8-7-13-11-16(24)17(12-15(13)23)28-9-3-2-4-10-28/h2*4-5,10-11,14H,3,6-9,12,26H2,1-2H3,(H,27,30);5-6,11-12H,2-4,7-10,25H2,1H3,(H,26,29)/t2*14-;/m10./s1.
What are the key properties of 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1335.62 g/mol, XLogP of 13.48, 18 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159032625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).