3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C22H23ClF2N4OS — CID 159264571

IUPAC3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCc2ccc(N3CCCCC3)c(Cl)c2)sc2nc(C(F)F)ccc12
InChIInChI=1S/C22H23ClF2N4OS/c23-15-12-13(4-7-17(15)29-10-2-1-3-11-29)8-9-27-21(30)19-18(26)14-5-6-16(20(24)25)28-22(14)31-19/h4-7,12,20H,1-3,8-11,26H2,(H,27,30)
InChIKeyFWHBRIRQICIAES-UHFFFAOYSA-N
MW464.97 g/mol
LogP5.43
Rot. Bonds6

About 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159264571) has the molecular formula C22H23ClF2N4OS and a molecular weight of 464.97 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID159264571
Molecular FormulaC22H23ClF2N4OS
Molecular Weight464.97 g/mol
Exact Mass464.12
IUPAC Name3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCc2ccc(N3CCCCC3)c(Cl)c2)sc2nc(C(F)F)ccc12
InChIInChI=1S/C22H23ClF2N4OS/c23-15-12-13(4-7-17(15)29-10-2-1-3-11-29)8-9-27-21(30)19-18(26)14-5-6-16(20(24)25)28-22(14)31-19/h4-7,12,20H,1-3,8-11,26H2,(H,27,30)
InChIKeyFWHBRIRQICIAES-UHFFFAOYSA-N
XLogP5.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-(4-chlorobenzyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004121
3-amino-N-(2,6-difluorophenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508263
3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121
3-amino-N,N-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1541587
3-Amino-N,N-diethyl-6-PH-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1157648
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2793404
3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004132
3-Amino-4,6-dimethyl-N-(4-(trifluoromethyl)benzyl)thieno[2,3-b]pyridine-2-carboxamide 2,2,2-trifluoroacetate
CID 16757564
Dopamine D2 receptor agonist-2
CID 90645289

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 159264571) is 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCCc2ccc(N3CCCCC3)c(Cl)c2)sc2nc(C(F)F)ccc12.
What is the InChIKey of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FWHBRIRQICIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N4OS/c23-15-12-13(4-7-17(15)29-10-2-1-3-11-29)8-9-27-21(30)19-18(26)14-5-6-16(20(24)25)28-22(14)31-19/h4-7,12,20H,1-3,8-11,26H2,(H,27,30).
What are the key properties of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 464.97 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159264571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).