1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine

C91H87Cl2F9N20O4 — CID 157196648

About 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine

1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 157196648) has the molecular formula C91H87Cl2F9N20O4 and a molecular weight of 1766.72 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
• PubChem CID: 157196648
• Molecular Formula: C91H87Cl2F9N20O4
• Molecular Weight: 1766.72 g/mol
• Exact Mass: 1764.65
• IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
• SMILES: Cc1cc(C(F)(F)F)ccc1COn1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21.Fc1cc(C(F)(F)F)ccc1COn1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21.Fc1cc(Cl)ccc1COn1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21.Fc1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c(Cl)c1
• InChI: InChI=1S/C24H24F3N5O.C23H21F4N5O.2C22H21ClFN5O/c1-16-10-20(24(25,26)27)3-2-17(16)15-33-32-9-6-22-23(32)11-18(12-29-22)19-13-30-31(14-19)21-4-7-28-8-5-21;24-20-10-18(23(25,26)27)2-1-15(20)14-33-32-8-5-21-22(32)9-16(11-29-21)17-12-30-31(13-17)19-3-6-28-7-4-19;23-20-10-18(24)2-1-15(20)14-30-29-8-5-21-22(29)9-16(11-26-21)17-12-27-28(13-17)19-3-6-25-7-4-19;23-18-2-1-15(20(24)10-18)14-30-29-8-5-21-22(29)9-16(11-26-21)17-12-27-28(13-17)19-3-6-25-7-4-19/h2-3,6,9-14,21,28H,4-5,7-8,15H2,1H3;1-2,5,8-13,19,28H,3-4,6-7,14H2;2*1-2,5,8-13,19,25H,3-4,6-7,14H2
• InChIKey: AQICRZPHXYEYKL-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 227.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.72
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?

The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 157196648) is 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.

What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?

The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is Cc1cc(C(F)(F)F)ccc1COn1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21.Fc1cc(C(F)(F)F)ccc1COn1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21.Fc1cc(Cl)ccc1COn1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21.Fc1ccc(COn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c(Cl)c1.

What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?

The InChIKey is AQICRZPHXYEYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O.C23H21F4N5O.2C22H21ClFN5O/c1-16-10-20(24(25,26)27)3-2-17(16)15-33-32-9-6-22-23(32)11-18(12-29-22)19-13-30-31(14-19)21-4-7-28-8-5-21;24-20-10-18(23(25,26)27)2-1-15(20)14-33-32-8-5-21-22(32)9-16(11-29-21)17-12-30-31(13-17)19-3-6-28-7-4-19;23-20-10-18(24)2-1-15(20)14-30-29-8-5-21-22(29)9-16(11-26-21)17-12-27-28(13-17)19-3-6-25-7-4-19;23-18-2-1-15(20(24)10-18)14-30-29-8-5-21-22(29)9-16(11-26-21)17-12-27-28(13-17)19-3-6-25-7-4-19/h2-3,6,9-14,21,28H,4-5,7-8,15H2,1H3;1-2,5,8-13,19,28H,3-4,6-7,14H2;2*1-2,5,8-13,19,25H,3-4,6-7,14H2.

What are the key properties of 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?

1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 1766.72 g/mol, XLogP of 17.88, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[(4-chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine;1-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 157196648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).