2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C93H99Cl4N19O10 — CID 164967234

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4ccc5ncnc(N6CCOCC6)c5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc(N5CCOCC5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4ccnc(-n5ccnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(-n5cccc5)nc4)(C2)C3)ccc1Cl
InChIInChI=1S/C26H28ClN5O3.C23H27ClN4O3.2C22H22ClN5O2/c1-17-10-19(3-4-21(17)27)35-12-23(33)31-26-13-25(14-26,15-26)30-18-2-5-22-20(11-18)24(29-16-28-22)32-6-8-34-9-7-32;1-16-11-17(5-6-18(16)24)31-12-21(29)27-23-13-22(14-23,15-23)26-19-3-2-4-20(25-19)28-7-9-30-10-8-28;1-15-8-17(2-3-18(15)23)30-10-20(29)27-22-11-21(12-22,13-22)26-16-4-5-25-19(9-16)28-7-6-24-14-28;1-15-8-17(4-5-18(15)23)30-11-19(29)27-22-12-21(13-22,14-22)26-16-9-24-20(25-10-16)28-6-2-3-7-28/h2-5,10-11,16,30H,6-9,12-15H2,1H3,(H,31,33);2-6,11H,7-10,12-15H2,1H3,(H,25,26)(H,27,29);2-9,14H,10-13H2,1H3,(H,25,26)(H,27,29);2-10,26H,11-14H2,1H3,(H,27,29)
InChIKeyCQIMTPYNGDVJOC-UHFFFAOYSA-N
MW1784.75 g/mol
LogP13.90
Rot. Bonds28

About 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 164967234) has the molecular formula C93H99Cl4N19O10 and a molecular weight of 1784.75 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID164967234
Molecular FormulaC93H99Cl4N19O10
Molecular Weight1784.75 g/mol
Exact Mass1781.66
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4ccc5ncnc(N6CCOCC6)c5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc(N5CCOCC5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4ccnc(-n5ccnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(-n5cccc5)nc4)(C2)C3)ccc1Cl
InChIInChI=1S/C26H28ClN5O3.C23H27ClN4O3.2C22H22ClN5O2/c1-17-10-19(3-4-21(17)27)35-12-23(33)31-26-13-25(14-26,15-26)30-18-2-5-22-20(11-18)24(29-16-28-22)32-6-8-34-9-7-32;1-16-11-17(5-6-18(16)24)31-12-21(29)27-23-13-22(14-23,15-23)26-19-3-2-4-20(25-19)28-7-9-30-10-8-28;1-15-8-17(2-3-18(15)23)30-10-20(29)27-22-11-21(12-22,13-22)26-16-4-5-25-19(9-16)28-7-6-24-14-28;1-15-8-17(4-5-18(15)23)30-11-19(29)27-22-12-21(13-22,14-22)26-16-9-24-20(25-10-16)28-6-2-3-7-28/h2-5,10-11,16,30H,6-9,12-15H2,1H3,(H,31,33);2-6,11H,7-10,12-15H2,1H3,(H,25,26)(H,27,29);2-9,14H,10-13H2,1H3,(H,25,26)(H,27,29);2-10,26H,11-14H2,1H3,(H,27,29)
InChIKeyCQIMTPYNGDVJOC-UHFFFAOYSA-N
XLogP13.90
TPSA326.47 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms126
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001784.75
LogP ≤ 513.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 164967234) is 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4ccc5ncnc(N6CCOCC6)c5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc(N5CCOCC5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4ccnc(-n5ccnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(-n5cccc5)nc4)(C2)C3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is CQIMTPYNGDVJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3.C23H27ClN4O3.2C22H22ClN5O2/c1-17-10-19(3-4-21(17)27)35-12-23(33)31-26-13-25(14-26,15-26)30-18-2-5-22-20(11-18)24(29-16-28-22)32-6-8-34-9-7-32;1-16-11-17(5-6-18(16)24)31-12-21(29)27-23-13-22(14-23,15-23)26-19-3-2-4-20(25-19)28-7-9-30-10-8-28;1-15-8-17(2-3-18(15)23)30-10-20(29)27-22-11-21(12-22,13-22)26-16-4-5-25-19(9-16)28-7-6-24-14-28;1-15-8-17(4-5-18(15)23)30-11-19(29)27-22-12-21(13-22,14-22)26-16-9-24-20(25-10-16)28-6-2-3-7-28/h2-5,10-11,16,30H,6-9,12-15H2,1H3,(H,31,33);2-6,11H,7-10,12-15H2,1H3,(H,25,26)(H,27,29);2-9,14H,10-13H2,1H3,(H,25,26)(H,27,29);2-10,26H,11-14H2,1H3,(H,27,29).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 1784.75 g/mol, XLogP of 13.90, 28 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-[(2-imidazol-1-yl-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-ylquinazolin-6-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-pyrrol-1-ylpyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 164967234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).