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

C117H112FN27O5 — CID 157152948

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

(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 157152948) has the molecular formula C117H112FN27O5 and a molecular weight of 1995.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

• Compound Name: (4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
• PubChem CID: 157152948
• Molecular Formula: C117H112FN27O5
• Molecular Weight: 1995.36 g/mol
• Exact Mass: 1993.93
• IUPAC Name: (4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
• SMILES: C[C@@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.C[C@@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N
• InChI: InChI=1S/2C24H22N6O.C23H22FN5O.2C23H23N5O/c2*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;2*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*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*2-10,12-13,16-17H,11,14-15H2,1H3,(H,24,25)/t2*16-,17?;15-,16?;2*16-,17?/m10010/s1
• InChIKey: ALLULNUPOUHDLX-XHXGVSLISA-N
• XLogP: 19.77
• TPSA: 381.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1995.36
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of (4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (CID 157152948) is (4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-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 (4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

The canonical SMILES for (4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is C[C@@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.C[C@@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.C[C@H]1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.

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

The InChIKey is ALLULNUPOUHDLX-XHXGVSLISA-N. The full InChI is InChI=1S/2C24H22N6O.C23H22FN5O.2C23H23N5O/c2*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;2*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*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*2-10,12-13,16-17H,11,14-15H2,1H3,(H,24,25)/t2*16-,17?;15-,16?;2*16-,17?/m10010/s1.

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

(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-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 1995.36 g/mol, XLogP of 19.77, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;2-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone;[(2S)-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 157152948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).