5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid

C25H26F3N7O5S — CID 67057274

IUPAC5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)c(C(=O)NCCN3CCOCC3)s2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C25H26F3N7O5S/c1-2-30-24(39)33-18-10-16(17(13-32-18)14-9-15(23(37)38)12-29-11-14)22-34-20(25(26,27)28)19(41-22)21(36)31-3-4-35-5-7-40-8-6-35/h9-13H,2-8H2,1H3,(H,31,36)(H,37,38)(H2,30,32,33,39)
InChIKeyXPJQHANKYDFNIO-UHFFFAOYSA-N
MW593.59 g/mol
LogP3.19
Rot. Bonds9

About 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid

5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 67057274) has the molecular formula C25H26F3N7O5S and a molecular weight of 593.59 g/mol. Its IUPAC name is 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID67057274
Molecular FormulaC25H26F3N7O5S
Molecular Weight593.59 g/mol
Exact Mass593.17
IUPAC Name5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)c(C(=O)NCCN3CCOCC3)s2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C25H26F3N7O5S/c1-2-30-24(39)33-18-10-16(17(13-32-18)14-9-15(23(37)38)12-29-11-14)22-34-20(25(26,27)28)19(41-22)21(36)31-3-4-35-5-7-40-8-6-35/h9-13H,2-8H2,1H3,(H,31,36)(H,37,38)(H2,30,32,33,39)
InChIKeyXPJQHANKYDFNIO-UHFFFAOYSA-N
XLogP3.19
TPSA158.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.59
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid (CID 67057274) is 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)c(C(=O)NCCN3CCOCC3)s2)c(-c2cncc(C(=O)O)c2)cn1.
What is the InChIKey of 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is XPJQHANKYDFNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O5S/c1-2-30-24(39)33-18-10-16(17(13-32-18)14-9-15(23(37)38)12-29-11-14)22-34-20(25(26,27)28)19(41-22)21(36)31-3-4-35-5-7-40-8-6-35/h9-13H,2-8H2,1H3,(H,31,36)(H,37,38)(H2,30,32,33,39).
What are the key properties of 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid?
5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 593.59 g/mol, XLogP of 3.19, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylcarbamoylamino)-4-[5-(2-morpholin-4-ylethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67057274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).