2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C96H98Cl4F5N21O10 — CID 165042605

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 165042605) has the molecular formula C96H98Cl4F5N21O10 and a molecular weight of 1942.78 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 165042605
• Molecular Formula: C96H98Cl4F5N21O10
• Molecular Weight: 1942.78 g/mol
• Exact Mass: 1939.65
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: CC(F)c1cnc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C5CC5)n4)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5cccc(F)c5)(C3)C4)nccn2n1.Cc1cncc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1nccnc1NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
• InChI: InChI=1S/C21H23ClN4O2.C20H20FN5O2.C19H19ClF2N4O2.2C18H18ClFN4O2/c1-13-6-15(4-5-16(13)22)28-9-19(27)26-21-10-20(11-21,12-21)25-18-8-23-7-17(24-18)14-2-3-14;1-13-7-16-18(22-5-6-26(16)25-13)24-20-10-19(11-20,12-20)23-17(27)9-28-15-4-2-3-14(21)8-15;1-11(21)12-5-23-17(24-6-12)26-19-8-18(9-19,10-19)25-16(27)7-28-13-2-3-14(20)15(22)4-13;1-11-5-21-6-15(22-11)23-17-8-18(9-17,10-17)24-16(25)7-26-12-2-3-13(19)14(20)4-12;1-11-16(22-5-4-21-11)24-18-8-17(9-18,10-18)23-15(25)7-26-12-2-3-13(19)14(20)6-12/h4-8,14H,2-3,9-12H2,1H3,(H,24,25)(H,26,27);2-8H,9-12H2,1H3,(H,22,24)(H,23,27);2-6,11H,7-10H2,1H3,(H,25,27)(H,23,24,26);2-6H,7-10H2,1H3,(H,22,23)(H,24,25);2-6H,7-10H2,1H3,(H,22,24)(H,23,25)
• InChIKey: OJIJXFWFIYSWKY-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 385.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.78
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 165042605) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is CC(F)c1cnc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C5CC5)n4)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5cccc(F)c5)(C3)C4)nccn2n1.Cc1cncc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1nccnc1NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is OJIJXFWFIYSWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2.C20H20FN5O2.C19H19ClF2N4O2.2C18H18ClFN4O2/c1-13-6-15(4-5-16(13)22)28-9-19(27)26-21-10-20(11-21,12-21)25-18-8-23-7-17(24-18)14-2-3-14;1-13-7-16-18(22-5-6-26(16)25-13)24-20-10-19(11-20,12-20)23-17(27)9-28-15-4-2-3-14(21)8-15;1-11(21)12-5-23-17(24-6-12)26-19-8-18(9-19,10-19)25-16(27)7-28-13-2-3-14(20)15(22)4-13;1-11-5-21-6-15(22-11)23-17-8-18(9-17,10-17)24-16(25)7-26-12-2-3-13(19)14(20)4-12;1-11-16(22-5-4-21-11)24-18-8-17(9-18,10-18)23-15(25)7-26-12-2-3-13(19)14(20)6-12/h4-8,14H,2-3,9-12H2,1H3,(H,24,25)(H,26,27);2-8H,9-12H2,1H3,(H,22,24)(H,23,27);2-6,11H,7-10H2,1H3,(H,25,27)(H,23,24,26);2-6H,7-10H2,1H3,(H,22,23)(H,24,25);2-6H,7-10H2,1H3,(H,22,24)(H,23,25).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 1942.78 g/mol, XLogP of 15.36, 32 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 165042605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).