[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C68H54F3N15O3 — CID 158317650

About [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158317650) has the molecular formula C68H54F3N15O3 and a molecular weight of 1186.28 g/mol. Its IUPAC name is [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158317650
• Molecular Formula: C68H54F3N15O3
• Molecular Weight: 1186.28 g/mol
• Exact Mass: 1185.45
• IUPAC Name: [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)C#Cc5ccccc5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)c5cccn5C)c4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
• InChI: InChI=1S/C27H21N5O.C24H22N6O.C17H11F3N4O/c1-31(2)23-11-9-20(10-12-23)21-14-24-25(17-29-27(24)28-15-21)22-16-30-32(18-22)26(33)13-8-19-6-4-3-5-7-19;1-28(2)19-8-6-16(7-9-19)17-11-20-21(14-26-23(20)25-12-17)18-13-27-30(15-18)24(31)22-5-4-10-29(22)3;18-17(19,20)25-13-3-1-10(2-4-13)11-5-14-15(12-7-23-24-8-12)9-22-16(14)21-6-11/h3-7,9-12,14-18H,1-2H3,(H,28,29);4-15H,1-3H3,(H,25,26);1-9H,(H,21,22)(H,23,24)
• InChIKey: GOLPHICTJBQEKP-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 205.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1186.28
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 158317650) is [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)C#Cc5ccccc5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)c5cccn5C)c4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.

What is the InChIKey of [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is GOLPHICTJBQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O.C24H22N6O.C17H11F3N4O/c1-31(2)23-11-9-20(10-12-23)21-14-24-25(17-29-27(24)28-15-21)22-16-30-32(18-22)26(33)13-8-19-6-4-3-5-7-19;1-28(2)19-8-6-16(7-9-19)17-11-20-21(14-26-23(20)25-12-17)18-13-27-30(15-18)24(31)22-5-4-10-29(22)3;18-17(19,20)25-13-3-1-10(2-4-13)11-5-14-15(12-7-23-24-8-12)9-22-16(14)21-6-11/h3-7,9-12,14-18H,1-2H3,(H,28,29);4-15H,1-3H3,(H,25,26);1-9H,(H,21,22)(H,23,24).

What are the key properties of [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1186.28 g/mol, XLogP of 13.56, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158317650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).