2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate

C62H60Cl3F2N11O10 — CID 160541664

About 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate

2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate (PubChem CID 160541664) has the molecular formula C62H60Cl3F2N11O10 and a molecular weight of 1263.58 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate
• PubChem CID: 160541664
• Molecular Formula: C62H60Cl3F2N11O10
• Molecular Weight: 1263.58 g/mol
• Exact Mass: 1261.36
• IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate
• SMILES: CCOC(=O)c1cncc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.COC(=O)c1ccnc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(OCC(=O)NC23CC(Nc4cnc5nccnc5c4)(C2)C3)ccc1Cl
• InChI: InChI=1S/C21H21ClFN3O4.C21H20ClN5O2.C20H19ClFN3O4/c1-2-29-19(28)13-5-14(8-24-7-13)25-20-10-21(11-20,12-20)26-18(27)9-30-15-3-4-16(22)17(23)6-15;1-13-6-15(2-3-16(13)22)29-9-18(28)27-21-10-20(11-21,12-21)26-14-7-17-19(25-8-14)24-5-4-23-17;1-28-18(27)12-4-5-23-16(6-12)24-19-9-20(10-19,11-19)25-17(26)8-29-13-2-3-14(21)15(22)7-13/h3-8,25H,2,9-12H2,1H3,(H,26,27);2-8,26H,9-12H2,1H3,(H,27,28);2-7H,8-11H2,1H3,(H,23,24)(H,25,26)
• InChIKey: QWWCMZWSHSIPAZ-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 268.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1263.58
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate?

The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate (CID 160541664) is 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate.

What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate?

The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate is CCOC(=O)c1cncc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.COC(=O)c1ccnc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(OCC(=O)NC23CC(Nc4cnc5nccnc5c4)(C2)C3)ccc1Cl.

What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate?

The InChIKey is QWWCMZWSHSIPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O4.C21H20ClN5O2.C20H19ClFN3O4/c1-2-29-19(28)13-5-14(8-24-7-13)25-20-10-21(11-20,12-20)26-18(27)9-30-15-3-4-16(22)17(23)6-15;1-13-6-15(2-3-16(13)22)29-9-18(28)27-21-10-20(11-21,12-21)26-14-7-17-19(25-8-14)24-5-4-23-17;1-28-18(27)12-4-5-23-16(6-12)24-19-9-20(10-19,11-19)25-17(26)8-29-13-2-3-14(21)15(22)7-13/h3-8,25H,2,9-12H2,1H3,(H,26,27);2-8,26H,9-12H2,1H3,(H,27,28);2-7H,8-11H2,1H3,(H,23,24)(H,25,26).

What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate?

2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate has a molecular weight of 1263.58 g/mol, XLogP of 9.54, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-methylphenoxy)-N-[3-(pyrido[2,3-b]pyrazin-7-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;ethyl 5-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-3-carboxylate;methyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 160541664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).