3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C145H153Cl4F6N29O11S2 — CID 161452429

About 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161452429) has the molecular formula C145H153Cl4F6N29O11S2 and a molecular weight of 2797.94 g/mol. Its IUPAC name is 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 161452429
• Molecular Formula: C145H153Cl4F6N29O11S2
• Molecular Weight: 2797.94 g/mol
• Exact Mass: 2794.04
• IUPAC Name: 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: COc1cc(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)cc(OC)c1.COc1cc(OC)c(Cl)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1Cl.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(C5CCN(C)CC5)c4)cc32)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(S(C)(=O)=S)CC5)c4)cc23)c1F.COc1ccc(Cl)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1Cl.COc1ccc(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1F
• InChI: InChI=1S/C26H28F2N4O2.C25H27F2N5O3S2.C24H25Cl2N5O2.C24H27N5O2.C23H23Cl2N5O.C23H23F2N5O/c1-31-8-6-19(7-9-31)32-15-18(14-30-32)17-11-20-16(4-5-22(20)29-13-17)10-21-25(27)23(33-2)12-24(34-3)26(21)28;1-34-21-10-22(35-2)24(27)20(23(21)26)9-16-12-29-25-19(16)8-15(11-28-25)17-13-30-32(14-17)18-4-6-31(7-5-18)37(3,33)36;1-32-20-9-21(33-2)23(26)19(22(20)25)8-15-11-29-24-18(15)7-14(10-28-24)16-12-30-31(13-16)17-3-5-27-6-4-17;1-30-21-8-16(9-22(11-21)31-2)7-18-13-27-24-23(18)10-17(12-26-24)19-14-28-29(15-19)20-3-5-25-6-4-20;2*1-31-21-3-2-20(24)19(22(21)25)9-15-11-28-23-18(15)8-14(10-27-23)16-12-29-30(13-16)17-4-6-26-7-5-17/h4,11-15,19H,5-10H2,1-3H3;8,10-14,18H,4-7,9H2,1-3H3,(H,28,29);7,9-13,17,27H,3-6,8H2,1-2H3,(H,28,29);8-15,20,25H,3-7H2,1-2H3,(H,26,27);2*2-3,8,10-13,17,26H,4-7,9H2,1H3,(H,27,28)
• InChIKey: WASANRKXZGXCDD-UHFFFAOYSA-N
• XLogP: 27.64
• TPSA: 427.18 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2797.94
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 161452429) is 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is COc1cc(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)cc(OC)c1.COc1cc(OC)c(Cl)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1Cl.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(C5CCN(C)CC5)c4)cc32)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCN(S(C)(=O)=S)CC5)c4)cc23)c1F.COc1ccc(Cl)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1Cl.COc1ccc(F)c(Cc2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1F.

What is the InChIKey of 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is WASANRKXZGXCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2.C25H27F2N5O3S2.C24H25Cl2N5O2.C24H27N5O2.C23H23Cl2N5O.C23H23F2N5O/c1-31-8-6-19(7-9-31)32-15-18(14-30-32)17-11-20-16(4-5-22(20)29-13-17)10-21-25(27)23(33-2)12-24(34-3)26(21)28;1-34-21-10-22(35-2)24(27)20(23(21)26)9-16-12-29-25-19(16)8-15(11-28-25)17-13-30-32(14-17)18-4-6-31(7-5-18)37(3,33)36;1-32-20-9-21(33-2)23(26)19(22(20)25)8-15-11-29-24-18(15)7-14(10-28-24)16-12-30-31(13-16)17-3-5-27-6-4-17;1-30-21-8-16(9-22(11-21)31-2)7-18-13-27-24-23(18)10-17(12-26-24)19-14-28-29(15-19)20-3-5-25-6-4-20;2*1-31-21-3-2-20(24)19(22(21)25)9-15-11-28-23-18(15)8-14(10-27-23)16-12-29-30(13-16)17-4-6-26-7-5-17/h4,11-15,19H,5-10H2,1-3H3;8,10-14,18H,4-7,9H2,1-3H3,(H,28,29);7,9-13,17,27H,3-6,8H2,1-2H3,(H,28,29);8-15,20,25H,3-7H2,1-2H3,(H,26,27);2*2-3,8,10-13,17,26H,4-7,9H2,1H3,(H,27,28).

What are the key properties of 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2797.94 g/mol, XLogP of 27.64, 35 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(2,6-dichloro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane;3-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-[(3,5-dimethoxyphenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161452429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).