ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C27H38F3N5O5 — CID 155700234

IUPACethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCCOCC.Cc1ncc(NC(=O)N2CCC(C(F)(F)F)C2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C23H28F3N5O4.C4H10O/c1-15-19(11-18(13-27-15)29-22(33)31-3-2-17(14-31)23(24,25)26)16-10-20(30-4-7-34-8-5-30)21(28-12-16)35-9-6-32;1-3-5-4-2/h10-13,17,32H,2-9,14H2,1H3,(H,29,33);3-4H2,1-2H3
InChIKeyQMXNDAXHWSDORA-UHFFFAOYSA-N
MW569.63 g/mol
LogP4.12
Rot. Bonds8

About ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 155700234) has the molecular formula C27H38F3N5O5 and a molecular weight of 569.63 g/mol. Its IUPAC name is ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Nameethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID155700234
Molecular FormulaC27H38F3N5O5
Molecular Weight569.63 g/mol
Exact Mass569.28
IUPAC Nameethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCCOCC.Cc1ncc(NC(=O)N2CCC(C(F)(F)F)C2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C23H28F3N5O4.C4H10O/c1-15-19(11-18(13-27-15)29-22(33)31-3-2-17(14-31)23(24,25)26)16-10-20(30-4-7-34-8-5-30)21(28-12-16)35-9-6-32;1-3-5-4-2/h10-13,17,32H,2-9,14H2,1H3,(H,29,33);3-4H2,1-2H3
InChIKeyQMXNDAXHWSDORA-UHFFFAOYSA-N
XLogP4.12
TPSA109.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.63
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide 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 ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 155700234) is ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CCOCC.Cc1ncc(NC(=O)N2CCC(C(F)(F)F)C2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.
What is the InChIKey of ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is QMXNDAXHWSDORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O4.C4H10O/c1-15-19(11-18(13-27-15)29-22(33)31-3-2-17(14-31)23(24,25)26)16-10-20(30-4-7-34-8-5-30)21(28-12-16)35-9-6-32;1-3-5-4-2/h10-13,17,32H,2-9,14H2,1H3,(H,29,33);3-4H2,1-2H3.
What are the key properties of ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 569.63 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155700234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).