2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate

C30H36F3N7O6S — CID 67057221

IUPAC2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C(=O)OCCN3CCOCC3)cnc2OCCN2CCOCC2)cn1
InChIInChI=1S/C30H36F3N7O6S/c1-2-34-29(42)38-25-16-22(27-37-24(19-47-27)30(31,32)33)23(18-35-25)21-15-20(28(41)46-14-8-40-5-11-44-12-6-40)17-36-26(21)45-13-7-39-3-9-43-10-4-39/h15-19H,2-14H2,1H3,(H2,34,35,38,42)
InChIKeyHKCIRAPCYIFZBC-UHFFFAOYSA-N
MW679.72 g/mol
LogP3.63
Rot. Bonds12

About 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate

2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate (PubChem CID 67057221) has the molecular formula C30H36F3N7O6S and a molecular weight of 679.72 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate
PubChem CID67057221
Molecular FormulaC30H36F3N7O6S
Molecular Weight679.72 g/mol
Exact Mass679.24
IUPAC Name2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C(=O)OCCN3CCOCC3)cnc2OCCN2CCOCC2)cn1
InChIInChI=1S/C30H36F3N7O6S/c1-2-34-29(42)38-25-16-22(27-37-24(19-47-27)30(31,32)33)23(18-35-25)21-15-20(28(41)46-14-8-40-5-11-44-12-6-40)17-36-26(21)45-13-7-39-3-9-43-10-4-39/h15-19H,2-14H2,1H3,(H2,34,35,38,42)
InChIKeyHKCIRAPCYIFZBC-UHFFFAOYSA-N
XLogP3.63
TPSA140.27 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.72
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate (CID 67057221) is 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C(=O)OCCN3CCOCC3)cnc2OCCN2CCOCC2)cn1.
What is the InChIKey of 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate?
The InChIKey is HKCIRAPCYIFZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N7O6S/c1-2-34-29(42)38-25-16-22(27-37-24(19-47-27)30(31,32)33)23(18-35-25)21-15-20(28(41)46-14-8-40-5-11-44-12-6-40)17-36-26(21)45-13-7-39-3-9-43-10-4-39/h15-19H,2-14H2,1H3,(H2,34,35,38,42).
What are the key properties of 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate?
2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate has a molecular weight of 679.72 g/mol, XLogP of 3.63, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 67057221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).