4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane — IUPAC name, SMILES, InChIKey & properties

Name: 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane

4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane (PubChem CID 164950257) has the molecular formula C69H94BCl4F3N10O9 and a molecular weight of 1417.19 g/mol. Its IUPAC name is 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name	4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane
PubChem CID	164950257
Molecular Formula	C69H94BCl4F3N10O9
Molecular Weight	1417.19 g/mol
Exact Mass	1414.60
IUPAC Name	4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane
SMILES	C/C=C/B1OC(C)(C)C(C)(C)O1.C/C=C/c1cc(Cl)cc(N2CCOCC2)n1.CCOC(C)Cc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(CCO)nc(N2CCOCC2)c1.Clc1cc(Cl)nc(N2CCOCC2)c1
InChI	InChI=1S/C25H31F3N4O3.C14H21ClN2O2.C12H15ClN2O.C9H17BO2.C9H10Cl2N2O/c1-17-2-3-20(30-24(34)32-6-4-18(16-32)15-25(26,27)28)14-22(17)19-12-21(5-9-33)29-23(13-19)31-7-10-35-11-8-31;1-3-19-11(2)8-13-9-12(15)10-14(16-13)17-4-6-18-7-5-17;1-2-3-11-8-10(13)9-12(14-11)15-4-6-16-7-5-15;1-6-7-10-11-8(2,3)9(4,5)12-10;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/h2-3,12-14,18,33H,4-11,15-16H2,1H3,(H,30,34);9-11H,3-8H2,1-2H3;2-3,8-9H,4-7H2,1H3;6-7H,1-5H3;5-6H,1-4H2/b;;3-2+;7-6+;/t18-;;;;/m0..../s1
InChIKey	AKTWEKMVIVLWCR-OITFDGJTSA-N
XLogP	13.80
TPSA	181.70 Å²
H-Bond Donors	2
H-Bond Acceptors	17
Rotatable Bonds	15
Heavy Atoms	96
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1417.19
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?

The IUPAC name of 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane (CID 164950257) is 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?

The canonical SMILES for 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane is C/C=C/B1OC(C)(C)C(C)(C)O1.C/C=C/c1cc(Cl)cc(N2CCOCC2)n1.CCOC(C)Cc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(CCO)nc(N2CCOCC2)c1.Clc1cc(Cl)nc(N2CCOCC2)c1.

What is the InChIKey of 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?

The InChIKey is AKTWEKMVIVLWCR-OITFDGJTSA-N. The full InChI is InChI=1S/C25H31F3N4O3.C14H21ClN2O2.C12H15ClN2O.C9H17BO2.C9H10Cl2N2O/c1-17-2-3-20(30-24(34)32-6-4-18(16-32)15-25(26,27)28)14-22(17)19-12-21(5-9-33)29-23(13-19)31-7-10-35-11-8-31;1-3-19-11(2)8-13-9-12(15)10-14(16-13)17-4-6-18-7-5-17;1-2-3-11-8-10(13)9-12(14-11)15-4-6-16-7-5-15;1-6-7-10-11-8(2,3)9(4,5)12-10;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/h2-3,12-14,18,33H,4-11,15-16H2,1H3,(H,30,34);9-11H,3-8H2,1-2H3;2-3,8-9H,4-7H2,1H3;6-7H,1-5H3;5-6H,1-4H2/b;;3-2+;7-6+;/t18-;;;;/m0..../s1.

What are the key properties of 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?

Where does this data come from?

All data for 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-(2-hydroxyethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 164950257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).