4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

C95H115BI3N25O12 — CID 161131222

About 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 161131222) has the molecular formula C95H115BI3N25O12 and a molecular weight of 2190.65 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

• Compound Name: 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
• PubChem CID: 161131222
• Molecular Formula: C95H115BI3N25O12
• Molecular Weight: 2190.65 g/mol
• Exact Mass: 2189.64
• IUPAC Name: 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
• SMILES: CC1(C)OB(C2=CCNCC2)OC1(C)C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(C4=CCNCC4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1C.Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)CN5CCOCC5)CC4)cc3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Cc1cnc2[nH]c(I)cc2c1.Nc1cnc2[nH]c(I)cc2c1.O=C(O)CN1CCOCC1
• InChI: InChI=1S/C24H29N7O3.C19H21N5O.C14H13IN4O.C11H20BNO2.C8H7IN2.C7H6IN3.C6H8N2O2.C6H11NO3/c1-15-16(2)28-29-22(15)24(33)26-19-11-18-12-20(27-23(18)25-13-19)17-3-5-31(6-4-17)21(32)14-30-7-9-34-10-8-30;1-11-12(2)23-24-18(11)17(25)8-13-7-15-9-16(22-19(15)21-10-13)14-3-5-20-6-4-14;1-7-8(2)18-19-13(7)11(20)4-9-3-10-5-12(15)17-14(10)16-6-9;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;1-5-2-6-3-7(9)11-8(6)10-4-5;8-6-2-4-1-5(9)3-10-7(4)11-6;1-3-4(2)7-8-5(3)6(9)10;8-6(9)5-7-1-3-10-4-2-7/h3,11-13H,4-10,14H2,1-2H3,(H,25,27)(H,26,33)(H,28,29);3,7,9-10,20H,4-6,8H2,1-2H3,(H,21,22)(H,23,24);3,5-6H,4H2,1-2H3,(H,16,17)(H,18,19);5,13H,6-8H2,1-4H3;2-4H,1H3,(H,10,11);1-3H,9H2,(H,10,11);1-2H3,(H,7,8)(H,9,10);1-5H2,(H,8,9)
• InChIKey: UMFFNCRXWZZFNY-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 509.75 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2190.65
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

The IUPAC name of 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (CID 161131222) is 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.

What is the SMILES notation for 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

The canonical SMILES for 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is CC1(C)OB(C2=CCNCC2)OC1(C)C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(C4=CCNCC4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1C.Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)CN5CCOCC5)CC4)cc3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Cc1cnc2[nH]c(I)cc2c1.Nc1cnc2[nH]c(I)cc2c1.O=C(O)CN1CCOCC1.

What is the InChIKey of 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

The InChIKey is UMFFNCRXWZZFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3.C19H21N5O.C14H13IN4O.C11H20BNO2.C8H7IN2.C7H6IN3.C6H8N2O2.C6H11NO3/c1-15-16(2)28-29-22(15)24(33)26-19-11-18-12-20(27-23(18)25-13-19)17-3-5-31(6-4-17)21(32)14-30-7-9-34-10-8-30;1-11-12(2)23-24-18(11)17(25)8-13-7-15-9-16(22-19(15)21-10-13)14-3-5-20-6-4-14;1-7-8(2)18-19-13(7)11(20)4-9-3-10-5-12(15)17-14(10)16-6-9;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;1-5-2-6-3-7(9)11-8(6)10-4-5;8-6-2-4-1-5(9)3-10-7(4)11-6;1-3-4(2)7-8-5(3)6(9)10;8-6(9)5-7-1-3-10-4-2-7/h3,11-13H,4-10,14H2,1-2H3,(H,25,27)(H,26,33)(H,28,29);3,7,9-10,20H,4-6,8H2,1-2H3,(H,21,22)(H,23,24);3,5-6H,4H2,1-2H3,(H,16,17)(H,18,19);5,13H,6-8H2,1-4H3;2-4H,1H3,(H,10,11);1-3H,9H2,(H,10,11);1-2H3,(H,7,8)(H,9,10);1-5H2,(H,8,9).

What are the key properties of 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 2190.65 g/mol, XLogP of 13.63, 16 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-N-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 161131222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).