[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate

C20H19FN6O2S — CID 69132118

IUPAC[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESN#Cc1ccc(-c2cc(N3CCC(N)CC3)nc3sc(OC(N)=O)c(N)c23)cc1F
InChIInChI=1S/C20H19FN6O2S/c21-14-7-10(1-2-11(14)9-22)13-8-15(27-5-3-12(23)4-6-27)26-18-16(13)17(24)19(30-18)29-20(25)28/h1-2,7-8,12H,3-6,23-24H2,(H2,25,28)
InChIKeyILPMVMYIGSLUOA-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.94
Rot. Bonds3

About [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate

[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 69132118) has the molecular formula C20H19FN6O2S and a molecular weight of 426.48 g/mol. Its IUPAC name is [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID69132118
Molecular FormulaC20H19FN6O2S
Molecular Weight426.48 g/mol
Exact Mass426.13
IUPAC Name[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESN#Cc1ccc(-c2cc(N3CCC(N)CC3)nc3sc(OC(N)=O)c(N)c23)cc1F
InChIInChI=1S/C20H19FN6O2S/c21-14-7-10(1-2-11(14)9-22)13-8-15(27-5-3-12(23)4-6-27)26-18-16(13)17(24)19(30-18)29-20(25)28/h1-2,7-8,12H,3-6,23-24H2,(H2,25,28)
InChIKeyILPMVMYIGSLUOA-UHFFFAOYSA-N
XLogP2.94
TPSA144.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69132561
3-amino-4-(4-cyano-3-fluorophenyl)-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 22269335
3-amino-6-(4-aminopiperidin-1-yl)-4-[3-fluoro-4-(methyliminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 142840255
3-amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23400967
6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 169103076
4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920627
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyridazin-4-yl]-2-fluorobenzonitrile
CID 118920657
6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile
CID 171744070
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile
CID 118920649
nitroso 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-[6-fluoro-1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyridine-4-carboxylate
CID 175516250
[3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
CID 69132162
4-[2-(4-aminopiperidin-1-yl)-1-methyl-5-[4-(methylamino)phenyl]-6-oxopyrimidin-4-yl]-2-fluorobenzonitrile
CID 118483216

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate (CID 69132118) is [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate is N#Cc1ccc(-c2cc(N3CCC(N)CC3)nc3sc(OC(N)=O)c(N)c23)cc1F.
What is the InChIKey of [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is ILPMVMYIGSLUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2S/c21-14-7-10(1-2-11(14)9-22)13-8-15(27-5-3-12(23)4-6-27)26-18-16(13)17(24)19(30-18)29-20(25)28/h1-2,7-8,12H,3-6,23-24H2,(H2,25,28).
What are the key properties of [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 426.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 69132118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).