5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C149H157Cl2F10N27O13 — CID 157175689

About 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 157175689) has the molecular formula C149H157Cl2F10N27O13 and a molecular weight of 2794.96 g/mol. Its IUPAC name is 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 157175689
• Molecular Formula: C149H157Cl2F10N27O13
• Molecular Weight: 2794.96 g/mol
• Exact Mass: 2792.17
• IUPAC Name: 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
• SMILES: CCN1CCC(n2cc(-c3cnc4c(c3)C(Cc3c(F)c(OC)cc(OC)c3F)=CC4)cn2)CC1.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c1F.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(CCO)c4)nc32)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(C(C)=O)CC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(C(C)C)CC5)c4)cc23)c1F.COc1ccc(Cl)c(CC2=CCc3ncc(-c4cnn(C5CCNCC5)c4)nc32)c1Cl
• InChI: InChI=1S/C27H31F2N5O2.C27H30F2N4O2.C26H27F2N5O3.C25H26F2N4O2.C23H23Cl2N5O.C21H20F2N4O3/c1-16(2)33-7-5-20(6-8-33)34-15-19(14-32-34)17-9-21-18(13-31-27(21)30-12-17)10-22-25(28)23(35-3)11-24(36-4)26(22)29;1-4-32-9-7-20(8-10-32)33-16-19(15-31-33)18-12-21-17(5-6-23(21)30-14-18)11-22-26(28)24(34-2)13-25(35-3)27(22)29;1-15(34)32-6-4-19(5-7-32)33-14-18(13-31-33)16-8-20-17(12-30-26(20)29-11-16)9-21-24(27)22(35-2)10-23(36-3)25(21)28;1-32-22-11-23(33-2)25(27)20(24(22)26)9-15-3-4-21-19(15)10-16(12-29-21)17-13-30-31(14-17)18-5-7-28-8-6-18;1-31-21-5-3-18(24)17(22(21)25)10-14-2-4-19-23(14)29-20(12-27-19)15-11-28-30(13-15)16-6-8-26-9-7-16;1-29-17-8-18(30-2)20(23)14(19(17)22)7-12-3-4-15-21(12)26-16(10-24-15)13-9-25-27(11-13)5-6-28/h9,11-16,20H,5-8,10H2,1-4H3,(H,30,31);5,12-16,20H,4,6-11H2,1-3H3;8,10-14,19H,4-7,9H2,1-3H3,(H,29,30);3,10-14,18,28H,4-9H2,1-2H3;2-3,5,11-13,16,26H,4,6-10H2,1H3;3,8-11,28H,4-7H2,1-2H3
• InChIKey: ANYZJSKMLZRZRE-UHFFFAOYSA-N
• XLogP: 26.85
• TPSA: 414.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 38
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2794.96
LogP ≤ 5	26.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 157175689) is 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CCN1CCC(n2cc(-c3cnc4c(c3)C(Cc3c(F)c(OC)cc(OC)c3F)=CC4)cn2)CC1.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c1F.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(CCO)c4)nc32)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(C(C)=O)CC5)c4)cc23)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(C(C)C)CC5)c4)cc23)c1F.COc1ccc(Cl)c(CC2=CCc3ncc(-c4cnn(C5CCNCC5)c4)nc32)c1Cl.

What is the InChIKey of 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?

The InChIKey is ANYZJSKMLZRZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5O2.C27H30F2N4O2.C26H27F2N5O3.C25H26F2N4O2.C23H23Cl2N5O.C21H20F2N4O3/c1-16(2)33-7-5-20(6-8-33)34-15-19(14-32-34)17-9-21-18(13-31-27(21)30-12-17)10-22-25(28)23(35-3)11-24(36-4)26(22)29;1-4-32-9-7-20(8-10-32)33-16-19(15-31-33)18-12-21-17(5-6-23(21)30-14-18)11-22-26(28)24(34-2)13-25(35-3)27(22)29;1-15(34)32-6-4-19(5-7-32)33-14-18(13-31-33)16-8-20-17(12-30-26(20)29-11-16)9-21-24(27)22(35-2)10-23(36-3)25(21)28;1-32-22-11-23(33-2)25(27)20(24(22)26)9-15-3-4-21-19(15)10-16(12-29-21)17-13-30-31(14-17)18-5-7-28-8-6-18;1-31-21-5-3-18(24)17(22(21)25)10-14-2-4-19-23(14)29-20(12-27-19)15-11-28-30(13-15)16-6-8-26-9-7-16;1-29-17-8-18(30-2)20(23)14(19(17)22)7-12-3-4-15-21(12)26-16(10-24-15)13-9-25-27(11-13)5-6-28/h9,11-16,20H,5-8,10H2,1-4H3,(H,30,31);5,12-16,20H,4,6-11H2,1-3H3;8,10-14,19H,4-7,9H2,1-3H3,(H,29,30);3,10-14,18,28H,4-9H2,1-2H3;2-3,5,11-13,16,26H,4,6-10H2,1H3;3,8-11,28H,4-7H2,1-2H3.

What are the key properties of 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?

5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 2794.96 g/mol, XLogP of 26.85, 38 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-dichloro-3-methoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyrazine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyrazin-3-yl]pyrazol-1-yl]ethanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridine;3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157175689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).