2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C102H105Cl5N24O11 — CID 164972535

About 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 164972535) has the molecular formula C102H105Cl5N24O11 and a molecular weight of 2020.38 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 164972535
• Molecular Formula: C102H105Cl5N24O11
• Molecular Weight: 2020.38 g/mol
• Exact Mass: 2016.68
• IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: Cc1cc(OCC(=O)NC23CC(Nc4ccnc(N5CCOCC5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(-c5cccnc5)cn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(C#N)cn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnccn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4nccn5nccc45)(C2)C3)ccc1Cl
• InChI: InChI=1S/C23H22ClN5O2.C22H26ClN5O3.C20H20ClN5O2.C19H18ClN5O2.C18H19ClN4O2/c1-15-7-17(4-5-18(15)24)31-11-21(30)29-23-12-22(13-23,14-23)28-20-10-26-19(9-27-20)16-3-2-6-25-8-16;1-15-10-16(2-3-17(15)23)31-11-19(29)27-22-12-21(13-22,14-22)26-18-4-5-24-20(25-18)28-6-8-30-9-7-28;1-13-8-14(2-3-15(13)21)28-9-17(27)24-19-10-20(11-19,12-19)25-18-16-4-5-23-26(16)7-6-22-18;1-12-4-14(2-3-15(12)20)27-8-17(26)25-19-9-18(10-19,11-19)24-16-7-22-13(5-21)6-23-16;1-12-6-13(2-3-14(12)19)25-8-16(24)23-18-9-17(10-18,11-18)22-15-7-20-4-5-21-15/h2-10H,11-14H2,1H3,(H,27,28)(H,29,30);2-5,10H,6-9,11-14H2,1H3,(H,27,29)(H,24,25,26);2-8H,9-12H2,1H3,(H,22,25)(H,24,27);2-4,6-7H,8-11H2,1H3,(H,23,24)(H,25,26);2-7H,8-11H2,1H3,(H,21,22)(H,23,24)
• InChIKey: DICMNXFAGIMDCV-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 434.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2020.38
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 164972535) is 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4ccnc(N5CCOCC5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(-c5cccnc5)cn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc(C#N)cn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnccn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4nccn5nccc45)(C2)C3)ccc1Cl.

What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is DICMNXFAGIMDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2.C22H26ClN5O3.C20H20ClN5O2.C19H18ClN5O2.C18H19ClN4O2/c1-15-7-17(4-5-18(15)24)31-11-21(30)29-23-12-22(13-23,14-23)28-20-10-26-19(9-27-20)16-3-2-6-25-8-16;1-15-10-16(2-3-17(15)23)31-11-19(29)27-22-12-21(13-22,14-22)26-18-4-5-24-20(25-18)28-6-8-30-9-7-28;1-13-8-14(2-3-15(13)21)28-9-17(27)24-19-10-20(11-19,12-19)25-18-16-4-5-23-26(16)7-6-22-18;1-12-4-14(2-3-15(12)20)27-8-17(26)25-19-9-18(10-19,11-19)24-16-7-22-13(5-21)6-23-16;1-12-6-13(2-3-14(12)19)25-8-16(24)23-18-9-17(10-18,11-18)22-15-7-20-4-5-21-15/h2-10H,11-14H2,1H3,(H,27,28)(H,29,30);2-5,10H,6-9,11-14H2,1H3,(H,27,29)(H,24,25,26);2-8H,9-12H2,1H3,(H,22,25)(H,24,27);2-4,6-7H,8-11H2,1H3,(H,23,24)(H,25,26);2-7H,8-11H2,1H3,(H,21,22)(H,23,24).

What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2020.38 g/mol, XLogP of 14.63, 32 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-methylphenoxy)-N-[3-[(5-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrazin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(5-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 164972535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).