2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C83H84Cl4F3N19O9 — CID 165016875

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4cncc(-c5cccnc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C#N)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C(F)(F)F)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(N5CCOCC5)n4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H22ClN5O2.C22H26ClN5O3.C19H18ClF3N4O2.C19H18ClN5O2/c1-15-7-17(4-5-18(15)24)31-11-21(30)29-23-12-22(13-23,14-23)28-20-10-26-9-19(27-20)16-3-2-6-25-8-16;1-15-8-16(2-3-17(15)23)31-11-20(29)27-22-12-21(13-22,14-22)26-18-9-24-10-19(25-18)28-4-6-30-7-5-28;1-11-4-12(2-3-13(11)20)29-7-16(28)27-18-8-17(9-18,10-18)26-15-6-24-5-14(25-15)19(21,22)23;1-12-4-14(2-3-15(12)20)27-8-17(26)25-19-9-18(10-19,11-19)24-16-7-22-6-13(5-21)23-16/h2-10H,11-14H2,1H3,(H,27,28)(H,29,30);2-3,8-10H,4-7,11-14H2,1H3,(H,25,26)(H,27,29);2-6H,7-10H2,1H3,(H,25,26)(H,27,28);2-4,6-7H,8-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyKOELVAGDNSNWDN-UHFFFAOYSA-N
MW1690.51 g/mol
LogP12.67
Rot. Bonds26

About 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 165016875) has the molecular formula C83H84Cl4F3N19O9 and a molecular weight of 1690.51 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID165016875
Molecular FormulaC83H84Cl4F3N19O9
Molecular Weight1690.51 g/mol
Exact Mass1687.54
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4cncc(-c5cccnc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C#N)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C(F)(F)F)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(N5CCOCC5)n4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H22ClN5O2.C22H26ClN5O3.C19H18ClF3N4O2.C19H18ClN5O2/c1-15-7-17(4-5-18(15)24)31-11-21(30)29-23-12-22(13-23,14-23)28-20-10-26-9-19(27-20)16-3-2-6-25-8-16;1-15-8-16(2-3-17(15)23)31-11-20(29)27-22-12-21(13-22,14-22)26-18-9-24-10-19(25-18)28-4-6-30-7-5-28;1-11-4-12(2-3-13(11)20)29-7-16(28)27-18-8-17(9-18,10-18)26-15-6-24-5-14(25-15)19(21,22)23;1-12-4-14(2-3-15(12)20)27-8-17(26)25-19-9-18(10-19,11-19)24-16-7-22-6-13(5-21)23-16/h2-10H,11-14H2,1H3,(H,27,28)(H,29,30);2-3,8-10H,4-7,11-14H2,1H3,(H,25,26)(H,27,29);2-6H,7-10H2,1H3,(H,25,26)(H,27,28);2-4,6-7H,8-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyKOELVAGDNSNWDN-UHFFFAOYSA-N
XLogP12.67
TPSA353.71 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms118
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001690.51
LogP ≤ 512.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-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-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 165016875) is 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4cncc(-c5cccnc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C#N)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C(F)(F)F)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(N5CCOCC5)n4)(C2)C3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is KOELVAGDNSNWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2.C22H26ClN5O3.C19H18ClF3N4O2.C19H18ClN5O2/c1-15-7-17(4-5-18(15)24)31-11-21(30)29-23-12-22(13-23,14-23)28-20-10-26-9-19(27-20)16-3-2-6-25-8-16;1-15-8-16(2-3-17(15)23)31-11-20(29)27-22-12-21(13-22,14-22)26-18-9-24-10-19(25-18)28-4-6-30-7-5-28;1-11-4-12(2-3-13(11)20)29-7-16(28)27-18-8-17(9-18,10-18)26-15-6-24-5-14(25-15)19(21,22)23;1-12-4-14(2-3-15(12)20)27-8-17(26)25-19-9-18(10-19,11-19)24-16-7-22-6-13(5-21)23-16/h2-10H,11-14H2,1H3,(H,27,28)(H,29,30);2-3,8-10H,4-7,11-14H2,1H3,(H,25,26)(H,27,29);2-6H,7-10H2,1H3,(H,25,26)(H,27,28);2-4,6-7H,8-11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 1690.51 g/mol, XLogP of 12.67, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 165016875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).