(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

C119H117F3N26O5 — CID 157135696

About (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 157135696) has the molecular formula C119H117F3N26O5 and a molecular weight of 2048.42 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

• Compound Name: (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
• PubChem CID: 157135696
• Molecular Formula: C119H117F3N26O5
• Molecular Weight: 2048.42 g/mol
• Exact Mass: 2046.97
• IUPAC Name: (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
• SMILES: CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1cccc(F)c1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1cccc(F)c1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N
• InChI: InChI=1S/C25H26FN5O.C24H24FN5O.C24H22N6O.C23H22FN5O.C23H23N5O/c1-17-11-19(16-31(17)25(32)8-5-18-3-2-4-21(26)12-18)15-30-10-9-23-24(30)7-6-22(29-23)20-13-27-28-14-20;1-16-11-17(7-10-30(16)24(31)18-3-2-4-20(25)12-18)15-29-9-8-22-23(29)6-5-21(28-22)19-13-26-27-14-19;1-16-10-17(15-30(16)24(31)20-5-3-2-4-18(20)11-25)14-29-9-8-22-23(29)7-6-21(28-22)19-12-26-27-13-19;1-15-10-16(14-29(15)23(30)17-2-4-19(24)5-3-17)13-28-9-8-21-22(28)7-6-20(27-21)18-11-25-26-12-18;1-16-11-17(15-28(16)23(29)18-5-3-2-4-6-18)14-27-10-9-21-22(27)8-7-20(26-21)19-12-24-25-13-19/h2-4,6-7,9-10,12-14,17,19H,5,8,11,15-16H2,1H3,(H,27,28);2-6,8-9,12-14,16-17H,7,10-11,15H2,1H3,(H,26,27);2-9,12-13,16-17H,10,14-15H2,1H3,(H,26,27);2-9,11-12,15-16H,10,13-14H2,1H3,(H,25,26);2-10,12-13,16-17H,11,14-15H2,1H3,(H,24,25)
• InChIKey: AJPAMPZHAMEVBZ-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 357.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.42
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

The IUPAC name of (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (CID 157135696) is (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.

What is the SMILES notation for (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

The canonical SMILES for (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1cccc(F)c1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1cccc(F)c1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.

What is the InChIKey of (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

The InChIKey is AJPAMPZHAMEVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O.C24H24FN5O.C24H22N6O.C23H22FN5O.C23H23N5O/c1-17-11-19(16-31(17)25(32)8-5-18-3-2-4-21(26)12-18)15-30-10-9-23-24(30)7-6-22(29-23)20-13-27-28-14-20;1-16-11-17(7-10-30(16)24(31)18-3-2-4-20(25)12-18)15-29-9-8-22-23(29)6-5-21(28-22)19-13-26-27-14-19;1-16-10-17(15-30(16)24(31)20-5-3-2-4-18(20)11-25)14-29-9-8-22-23(29)7-6-21(28-22)19-12-26-27-13-19;1-15-10-16(14-29(15)23(30)17-2-4-19(24)5-3-17)13-28-9-8-21-22(28)7-6-20(27-21)18-11-25-26-12-18;1-16-11-17(15-28(16)23(29)18-5-3-2-4-6-18)14-27-10-9-21-22(27)8-7-20(26-21)19-12-24-25-13-19/h2-4,6-7,9-10,12-14,17,19H,5,8,11,15-16H2,1H3,(H,27,28);2-6,8-9,12-14,16-17H,7,10-11,15H2,1H3,(H,26,27);2-9,12-13,16-17H,10,14-15H2,1H3,(H,26,27);2-9,11-12,15-16H,10,13-14H2,1H3,(H,25,26);2-10,12-13,16-17H,11,14-15H2,1H3,(H,24,25).

What are the key properties of (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

(3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 2048.42 g/mol, XLogP of 20.88, 22 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 157135696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).