2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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

C85H87Cl4F2N15O13 — CID 165025767

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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
SMILESCCOC(=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(Nc4cc(N5CCOCC5)ccn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc5nccnc5c4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H27ClN4O3.C21H21ClFN3O4.C21H20ClN5O2.C20H19ClFN3O4/c1-16-10-18(2-3-19(16)24)31-12-21(29)27-23-13-22(14-23,15-23)26-20-11-17(4-5-25-20)28-6-8-30-9-7-28;1-2-29-19(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/h2-5,10-11H,6-9,12-15H2,1H3,(H,25,26)(H,27,29);3-8,25H,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)
InChIKeyLVXKZMBJJABBEQ-UHFFFAOYSA-N
MW1706.53 g/mol
LogP12.71
Rot. Bonds28

About 2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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 165025767) has the molecular formula C85H87Cl4F2N15O13 and a molecular weight of 1706.53 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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 Name2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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 CID165025767
Molecular FormulaC85H87Cl4F2N15O13
Molecular Weight1706.53 g/mol
Exact Mass1703.53
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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
SMILESCCOC(=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(Nc4cc(N5CCOCC5)ccn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc5nccnc5c4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H27ClN4O3.C21H21ClFN3O4.C21H20ClN5O2.C20H19ClFN3O4/c1-16-10-18(2-3-19(16)24)31-12-21(29)27-23-13-22(14-23,15-23)26-20-11-17(4-5-25-20)28-6-8-30-9-7-28;1-2-29-19(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/h2-5,10-11H,6-9,12-15H2,1H3,(H,25,26)(H,27,29);3-8,25H,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)
InChIKeyLVXKZMBJJABBEQ-UHFFFAOYSA-N
XLogP12.71
TPSA343.85 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms119
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001706.53
LogP ≤ 512.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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 165025767) is 2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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(Nc4cc(N5CCOCC5)ccn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cnc5nccnc5c4)(C2)C3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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 LVXKZMBJJABBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3.C21H21ClFN3O4.C21H20ClN5O2.C20H19ClFN3O4/c1-16-10-18(2-3-19(16)24)31-12-21(29)27-23-13-22(14-23,15-23)26-20-11-17(4-5-25-20)28-6-8-30-9-7-28;1-2-29-19(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/h2-5,10-11H,6-9,12-15H2,1H3,(H,25,26)(H,27,29);3-8,25H,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-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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 1706.53 g/mol, XLogP of 12.71, 28 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-[(4-morpholin-4-yl-2-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;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 165025767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).