4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine

C46H52I2N16O6 — CID 158963582

About 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine

4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine (PubChem CID 158963582) has the molecular formula C46H52I2N16O6 and a molecular weight of 1178.84 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine.

Molecular Properties

• Compound Name: 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine
• PubChem CID: 158963582
• Molecular Formula: C46H52I2N16O6
• Molecular Weight: 1178.84 g/mol
• Exact Mass: 1178.23
• IUPAC Name: 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine
• SMILES: C1COCCN1.Cc1[nH]nc(C(=O)O)c1C.Cc1cc(C(=O)Cc2cnc3[nH]c(I)cc3c2)n[nH]1.Cc1cc(NC(=O)c2cnc3[nH]c(N4CCOCC4)cc3c2)n[nH]1.Nc1cnc2[nH]c(I)cc2c1
• InChI: InChI=1S/C16H18N6O2.C13H11IN4O.C7H6IN3.C6H8N2O2.C4H9NO/c1-10-6-13(21-20-10)18-16(23)12-7-11-8-14(19-15(11)17-9-12)22-2-4-24-5-3-22;1-7-2-10(18-17-7)11(19)4-8-3-9-5-12(14)16-13(9)15-6-8;8-6-2-4-1-5(9)3-10-7(4)11-6;1-3-4(2)7-8-5(3)6(9)10;1-3-6-4-2-5-1/h6-9H,2-5H2,1H3,(H,17,19)(H2,18,20,21,23);2-3,5-6H,4H2,1H3,(H,15,16)(H,17,18);1-3H,9H2,(H,10,11);1-2H3,(H,7,8)(H,9,10);5H,1-4H2
• InChIKey: JMXOQUJNKGAFKQ-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 315.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1178.84
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine?

The IUPAC name of 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine (CID 158963582) is 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine.

What is the SMILES notation for 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine?

The canonical SMILES for 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine is C1COCCN1.Cc1[nH]nc(C(=O)O)c1C.Cc1cc(C(=O)Cc2cnc3[nH]c(I)cc3c2)n[nH]1.Cc1cc(NC(=O)c2cnc3[nH]c(N4CCOCC4)cc3c2)n[nH]1.Nc1cnc2[nH]c(I)cc2c1.

What is the InChIKey of 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine?

The InChIKey is JMXOQUJNKGAFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2.C13H11IN4O.C7H6IN3.C6H8N2O2.C4H9NO/c1-10-6-13(21-20-10)18-16(23)12-7-11-8-14(19-15(11)17-9-12)22-2-4-24-5-3-22;1-7-2-10(18-17-7)11(19)4-8-3-9-5-12(14)16-13(9)15-6-8;8-6-2-4-1-5(9)3-10-7(4)11-6;1-3-4(2)7-8-5(3)6(9)10;1-3-6-4-2-5-1/h6-9H,2-5H2,1H3,(H,17,19)(H2,18,20,21,23);2-3,5-6H,4H2,1H3,(H,15,16)(H,17,18);1-3H,9H2,(H,10,11);1-2H3,(H,7,8)(H,9,10);5H,1-4H2.

What are the key properties of 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine?

4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine has a molecular weight of 1178.84 g/mol, XLogP of 6.39, 7 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine is sourced from PubChem (CID 158963582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).