4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid

C24H23N7O3S2 — CID 67487907

IUPAC4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid
SMILESCc1ncccc1Oc1cc(Nc2nc(C3CCN(C(=O)O)CC3)ns2)ncc1Sc1ccccn1
InChIInChI=1S/C24H23N7O3S2/c1-15-17(5-4-10-25-15)34-18-13-20(27-14-19(18)35-21-6-2-3-9-26-21)28-23-29-22(30-36-23)16-7-11-31(12-8-16)24(32)33/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,32,33)(H,27,28,29,30)
InChIKeyIUYURFNAJKWPIO-UHFFFAOYSA-N
MW521.63 g/mol
LogP5.58
Rot. Bonds7

About 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid

4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid (PubChem CID 67487907) has the molecular formula C24H23N7O3S2 and a molecular weight of 521.63 g/mol. Its IUPAC name is 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid
PubChem CID67487907
Molecular FormulaC24H23N7O3S2
Molecular Weight521.63 g/mol
Exact Mass521.13
IUPAC Name4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid
SMILESCc1ncccc1Oc1cc(Nc2nc(C3CCN(C(=O)O)CC3)ns2)ncc1Sc1ccccn1
InChIInChI=1S/C24H23N7O3S2/c1-15-17(5-4-10-25-15)34-18-13-20(27-14-19(18)35-21-6-2-3-9-26-21)28-23-29-22(30-36-23)16-7-11-31(12-8-16)24(32)33/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,32,33)(H,27,28,29,30)
InChIKeyIUYURFNAJKWPIO-UHFFFAOYSA-N
XLogP5.58
TPSA126.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.63
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid (CID 67487907) is 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid is Cc1ncccc1Oc1cc(Nc2nc(C3CCN(C(=O)O)CC3)ns2)ncc1Sc1ccccn1.
What is the InChIKey of 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid?
The InChIKey is IUYURFNAJKWPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S2/c1-15-17(5-4-10-25-15)34-18-13-20(27-14-19(18)35-21-6-2-3-9-26-21)28-23-29-22(30-36-23)16-7-11-31(12-8-16)24(32)33/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,32,33)(H,27,28,29,30).
What are the key properties of 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid?
4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid has a molecular weight of 521.63 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67487907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).