(3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid

C14H13BrN4O2S — CID 68500522

IUPAC(3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid
SMILESN#Cc1cnc(N[C@H]2CCCN(C(=O)O)C2)c2sc(Br)cc12
InChIInChI=1S/C14H13BrN4O2S/c15-11-4-10-8(5-16)6-17-13(12(10)22-11)18-9-2-1-3-19(7-9)14(20)21/h4,6,9H,1-3,7H2,(H,17,18)(H,20,21)/t9-/m0/s1
InChIKeyIJHDITGXPQWXNI-VIFPVBQESA-N
MW381.26 g/mol
LogP3.48
Rot. Bonds2

About (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid

(3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid (PubChem CID 68500522) has the molecular formula C14H13BrN4O2S and a molecular weight of 381.26 g/mol. Its IUPAC name is (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid
PubChem CID68500522
Molecular FormulaC14H13BrN4O2S
Molecular Weight381.26 g/mol
Exact Mass379.99
IUPAC Name(3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid
SMILESN#Cc1cnc(N[C@H]2CCCN(C(=O)O)C2)c2sc(Br)cc12
InChIInChI=1S/C14H13BrN4O2S/c15-11-4-10-8(5-16)6-17-13(12(10)22-11)18-9-2-1-3-19(7-9)14(20)21/h4,6,9H,1-3,7H2,(H,17,18)(H,20,21)/t9-/m0/s1
InChIKeyIJHDITGXPQWXNI-VIFPVBQESA-N
XLogP3.48
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

(3S)-3-[[7-cyano-2-(2-phenylethynyl)thieno[3,2-c]pyridin-4-yl]amino]piperidine-1-carboxylic acid
CID 69009342
(3S)-3-(2-bromo-7-cyanothieno[3,2-c]pyridin-4-yl)oxypiperidine-1-carboxylic acid
CID 69008924
(3S)-3-[(7-cyano-2-indazol-1-ylthieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylic acid
CID 69010440
(3R)-3-[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylic acid
CID 155253964
6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile
CID 96549568
3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid
CID 155391404
4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598881
3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid
CID 170311521
(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 175107921
tert-butyl (3R)-3-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]piperidine-1-carboxylate
CID 172532235
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 89401167
3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidine-1-carboxylic acid
CID 118116183

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid (CID 68500522) is (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid is N#Cc1cnc(N[C@H]2CCCN(C(=O)O)C2)c2sc(Br)cc12.
What is the InChIKey of (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid?
The InChIKey is IJHDITGXPQWXNI-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13BrN4O2S/c15-11-4-10-8(5-16)6-17-13(12(10)22-11)18-9-2-1-3-19(7-9)14(20)21/h4,6,9H,1-3,7H2,(H,17,18)(H,20,21)/t9-/m0/s1.
What are the key properties of (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid?
(3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid has a molecular weight of 381.26 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-bromo-4-cyanothieno[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68500522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).