N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide

C86H81Cl5F6N14O12S — CID 159875459

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide (PubChem CID 159875459) has the molecular formula C86H81Cl5F6N14O12S and a molecular weight of 1826.00 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide
• PubChem CID: 159875459
• Molecular Formula: C86H81Cl5F6N14O12S
• Molecular Weight: 1826.00 g/mol
• Exact Mass: 1822.42
• IUPAC Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide
• SMILES: C[C@H]1CC2(NC(=O)c3ccccc3F)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cnc(C(F)(F)F)s4)(C2)C3)ccc1Cl.Cc1cc2c(C(=O)NC34CC(NC(=O)COc5ccc(Cl)c(Cl)c5)(C3)C4)nccn2n1.Cc1cc2c(C(=O)NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)nccn2n1
• InChI: InChI=1S/C24H25ClF2N2O3.C21H19Cl2N5O3.C21H19ClFN5O3.C20H18ClF3N2O3S/c1-15-13-23(29-22(31)17-4-2-3-5-19(17)26)8-10-24(15,11-9-23)28-21(30)14-32-16-6-7-18(25)20(27)12-16;2*1-12-6-16-18(24-4-5-28(16)27-12)19(30)26-21-9-20(10-21,11-21)25-17(29)8-31-13-2-3-14(22)15(23)7-13;1-11-4-13(2-3-14(11)21)29-7-12(27)5-18-8-19(9-18,10-18)26-16(28)15-6-25-17(30-15)20(22,23)24/h2-7,12,15H,8-11,13-14H2,1H3,(H,28,30)(H,29,31);2*2-7H,8-11H2,1H3,(H,25,29)(H,26,30);2-4,6H,5,7-10H2,1H3,(H,26,28)/t15-,23?,24?;;;/m0.../s1
• InChIKey: NSVSDQHTQWBGPA-MQYHGHTJSA-N
• XLogP: 14.82
• TPSA: 330.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1826.00
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide?

The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide (CID 159875459) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide.

What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide?

The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide is C[C@H]1CC2(NC(=O)c3ccccc3F)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cnc(C(F)(F)F)s4)(C2)C3)ccc1Cl.Cc1cc2c(C(=O)NC34CC(NC(=O)COc5ccc(Cl)c(Cl)c5)(C3)C4)nccn2n1.Cc1cc2c(C(=O)NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)nccn2n1.

What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide?

The InChIKey is NSVSDQHTQWBGPA-MQYHGHTJSA-N. The full InChI is InChI=1S/C24H25ClF2N2O3.C21H19Cl2N5O3.C21H19ClFN5O3.C20H18ClF3N2O3S/c1-15-13-23(29-22(31)17-4-2-3-5-19(17)26)8-10-24(15,11-9-23)28-21(30)14-32-16-6-7-18(25)20(27)12-16;2*1-12-6-16-18(24-4-5-28(16)27-12)19(30)26-21-9-20(10-21,11-21)25-17(29)8-31-13-2-3-14(22)15(23)7-13;1-11-4-13(2-3-14(11)21)29-7-12(27)5-18-8-19(9-18,10-18)26-16(28)15-6-25-17(30-15)20(22,23)24/h2-7,12,15H,8-11,13-14H2,1H3,(H,28,30)(H,29,31);2*2-7H,8-11H2,1H3,(H,25,29)(H,26,30);2-4,6H,5,7-10H2,1H3,(H,26,28)/t15-,23?,24?;;;/m0.../s1.

What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide?

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide has a molecular weight of 1826.00 g/mol, XLogP of 14.82, 25 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide is sourced from PubChem (CID 159875459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).