(4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

C95H93FN22O5 — CID 159499959

About (4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

(4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 159499959) has the molecular formula C95H93FN22O5 and a molecular weight of 1641.94 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-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)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
• PubChem CID: 159499959
• Molecular Formula: C95H93FN22O5
• Molecular Weight: 1641.94 g/mol
• Exact Mass: 1640.77
• IUPAC Name: (4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
• SMILES: C[C@@H]1C[C@H](Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.C[C@@H]1C[C@H](Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.C[C@@H]1C[C@H](Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1ccc3nc(-c4cn[nH]n4)ccc31)C2
• InChI: InChI=1S/C25H26N6O2.C24H22N6O.C23H22FN5O.C23H23N5O/c1-16-4-2-3-5-24(16)33-15-25(32)31-18-6-8-22(31)17(12-18)14-30-11-10-20-23(30)9-7-19(27-20)21-13-26-29-28-21;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/h2-5,7,9-11,13,17-18,22H,6,8,12,14-15H2,1H3,(H,26,28,29);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)/t;16-,17-;15-,16-;16-,17-/m.111/s1
• InChIKey: LZGJPSABDXSMCW-JNNGVODXSA-N
• XLogP: 15.53
• TPSA: 313.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1641.94
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-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)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (CID 159499959) is (4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-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)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-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)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is C[C@@H]1C[C@H](Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.C[C@@H]1C[C@H](Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.C[C@@H]1C[C@H](Cn2ccc3nc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1ccc3nc(-c4cn[nH]n4)ccc31)C2.

What is the InChIKey of (4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

The InChIKey is LZGJPSABDXSMCW-JNNGVODXSA-N. The full InChI is InChI=1S/C25H26N6O2.C24H22N6O.C23H22FN5O.C23H23N5O/c1-16-4-2-3-5-24(16)33-15-25(32)31-18-6-8-22(31)17(12-18)14-30-11-10-20-23(30)9-7-19(27-20)21-13-26-29-28-21;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/h2-5,7,9-11,13,17-18,22H,6,8,12,14-15H2,1H3,(H,26,28,29);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)/t;16-,17-;15-,16-;16-,17-/m.111/s1.

What are the key properties of (4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

(4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-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 1641.94 g/mol, XLogP of 15.53, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R,4R)-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 159499959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).