3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C69H80F3N11O4S3 — CID 160827803

IUPAC3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(N2CCCCC2)ccc1CCNC(=O)c1sc2nc(C)ccc2c1N.Cc1ccc2c(C)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C23H25F3N4OS.C23H28N4O2S.C23H27N3OS/c1-14-5-7-16-19(27)20(32-22(16)29-14)21(31)28-10-9-15-6-8-18(17(13-15)23(24,25)26)30-11-3-2-4-12-30;1-15-6-9-18-20(24)21(30-23(18)26-15)22(28)25-11-10-16-7-8-17(14-19(16)29-2)27-12-4-3-5-13-27;1-16-6-11-20-17(2)21(28-23(20)25-16)22(27)24-13-12-18-7-9-19(10-8-18)26-14-4-3-5-15-26/h5-8,13H,2-4,9-12,27H2,1H3,(H,28,31);6-9,14H,3-5,10-13,24H2,1-2H3,(H,25,28);6-11H,3-5,12-15H2,1-2H3,(H,24,27)
InChIKeySGKIYUMSYFTCOJ-UHFFFAOYSA-N
MW1280.67 g/mol
LogP14.20
Rot. Bonds16

About 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 160827803) has the molecular formula C69H80F3N11O4S3 and a molecular weight of 1280.67 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID160827803
Molecular FormulaC69H80F3N11O4S3
Molecular Weight1280.67 g/mol
Exact Mass1279.55
IUPAC Name3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(N2CCCCC2)ccc1CCNC(=O)c1sc2nc(C)ccc2c1N.Cc1ccc2c(C)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C23H25F3N4OS.C23H28N4O2S.C23H27N3OS/c1-14-5-7-16-19(27)20(32-22(16)29-14)21(31)28-10-9-15-6-8-18(17(13-15)23(24,25)26)30-11-3-2-4-12-30;1-15-6-9-18-20(24)21(30-23(18)26-15)22(28)25-11-10-16-7-8-17(14-19(16)29-2)27-12-4-3-5-13-27;1-16-6-11-20-17(2)21(28-23(20)25-16)22(27)24-13-12-18-7-9-19(10-8-18)26-14-4-3-5-15-26/h5-8,13H,2-4,9-12,27H2,1H3,(H,28,31);6-9,14H,3-5,10-13,24H2,1-2H3,(H,25,28);6-11H,3-5,12-15H2,1-2H3,(H,24,27)
InChIKeySGKIYUMSYFTCOJ-UHFFFAOYSA-N
XLogP14.20
TPSA196.96 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.67
LogP ≤ 514.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-Amino-N5-(2,4-dimethylphenyl)-N2-(3-methoxyphenyl)-6-methyl-4-(3-methylthiophen-2-YL)thieno[2,3-B]pyridine-2,5-dicarboxamide
CID 15989837
3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155556612
3-Amino-N5-(2,4-dimethylphenyl)-N2-(3-methoxyphenyl)-6-methyl-4-(thiophen-2-YL)thieno[2,3-B]pyridine-2,5-dicarboxamide
CID 15989821
3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 155805415
tert-butyl 7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480426
tert-butyl 7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480429
7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 137480578
7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 137480583
benzyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,6,8-trifluoro-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate
CID 137480759
3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480850
3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480889
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488611

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 160827803) is 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is COc1cc(N2CCCCC2)ccc1CCNC(=O)c1sc2nc(C)ccc2c1N.Cc1ccc2c(C)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(C(F)(F)F)c3)sc2n1.
What is the InChIKey of 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SGKIYUMSYFTCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4OS.C23H28N4O2S.C23H27N3OS/c1-14-5-7-16-19(27)20(32-22(16)29-14)21(31)28-10-9-15-6-8-18(17(13-15)23(24,25)26)30-11-3-2-4-12-30;1-15-6-9-18-20(24)21(30-23(18)26-15)22(28)25-11-10-16-7-8-17(14-19(16)29-2)27-12-4-3-5-13-27;1-16-6-11-20-17(2)21(28-23(20)25-16)22(27)24-13-12-18-7-9-19(10-8-18)26-14-4-3-5-15-26/h5-8,13H,2-4,9-12,27H2,1H3,(H,28,31);6-9,14H,3-5,10-13,24H2,1-2H3,(H,25,28);6-11H,3-5,12-15H2,1-2H3,(H,24,27).
What are the key properties of 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1280.67 g/mol, XLogP of 14.20, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxy-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 160827803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).