[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

C88H102BBrCl2N16O17 — CID 157463839

About [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (PubChem CID 157463839) has the molecular formula C88H102BBrCl2N16O17 and a molecular weight of 1817.50 g/mol. Its IUPAC name is [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
• PubChem CID: 157463839
• Molecular Formula: C88H102BBrCl2N16O17
• Molecular Weight: 1817.50 g/mol
• Exact Mass: 1814.63
• IUPAC Name: [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
• SMILES: CC(C)(C)OC(=O)N1Cc2c(Cl)ncc(Br)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(Cl)ncc(Nc3ccc(C4CCOC4)c(CO)n3)c2C1=O.Cn1ccc2c(-c3ncc(Nc4ccc([C@@H]5CCOC5)c(CO)n4)c4c3CN(C(=O)OC(C)(C)C)C4=O)ccnc21.Cn1ccc2c(B3OC(C)(C)C(C)(C)O3)ccnc21.Nc1ccc(C2CCOC2)c(CO)n1
• InChI: InChI=1S/C30H32N6O5.C22H25ClN4O5.C14H19BN2O2.C12H12BrClN2O3.C10H14N2O2/c1-30(2,3)41-29(39)36-14-21-25(28(36)38)22(13-32-26(21)19-7-10-31-27-20(19)8-11-35(27)4)33-24-6-5-18(23(15-37)34-24)17-9-12-40-16-17;1-22(2,3)32-21(30)27-9-14-18(20(27)29)15(8-24-19(14)23)25-17-5-4-13(16(10-28)26-17)12-6-7-31-11-12;1-13(2)14(3,4)19-15(18-13)11-6-8-16-12-10(11)7-9-17(12)5;1-12(2,3)19-11(18)16-5-6-8(10(16)17)7(13)4-15-9(6)14;11-10-2-1-8(9(5-13)12-10)7-3-4-14-6-7/h5-8,10-11,13,17,37H,9,12,14-16H2,1-4H3,(H,33,34);4-5,8,12,28H,6-7,9-11H2,1-3H3,(H,25,26);6-9H,1-5H3;4H,5H2,1-3H3;1-2,7,13H,3-6H2,(H2,11,12)/t17-;;;;/m1..../s1
• InChIKey: BUFXQCZVRVCTTK-GIZSFIMASA-N
• XLogP: 14.34
• TPSA: 409.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1817.50
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The IUPAC name of [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (CID 157463839) is [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.

What is the SMILES notation for [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The canonical SMILES for [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is CC(C)(C)OC(=O)N1Cc2c(Cl)ncc(Br)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(Cl)ncc(Nc3ccc(C4CCOC4)c(CO)n3)c2C1=O.Cn1ccc2c(-c3ncc(Nc4ccc([C@@H]5CCOC5)c(CO)n4)c4c3CN(C(=O)OC(C)(C)C)C4=O)ccnc21.Cn1ccc2c(B3OC(C)(C)C(C)(C)O3)ccnc21.Nc1ccc(C2CCOC2)c(CO)n1.

What is the InChIKey of [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The InChIKey is BUFXQCZVRVCTTK-GIZSFIMASA-N. The full InChI is InChI=1S/C30H32N6O5.C22H25ClN4O5.C14H19BN2O2.C12H12BrClN2O3.C10H14N2O2/c1-30(2,3)41-29(39)36-14-21-25(28(36)38)22(13-32-26(21)19-7-10-31-27-20(19)8-11-35(27)4)33-24-6-5-18(23(15-37)34-24)17-9-12-40-16-17;1-22(2,3)32-21(30)27-9-14-18(20(27)29)15(8-24-19(14)23)25-17-5-4-13(16(10-28)26-17)12-6-7-31-11-12;1-13(2)14(3,4)19-15(18-13)11-6-8-16-12-10(11)7-9-17(12)5;1-12(2,3)19-11(18)16-5-6-8(10(16)17)7(13)4-15-9(6)14;11-10-2-1-8(9(5-13)12-10)7-3-4-14-6-7/h5-8,10-11,13,17,37H,9,12,14-16H2,1-4H3,(H,33,34);4-5,8,12,28H,6-7,9-11H2,1-3H3,(H,25,26);6-9H,1-5H3;4H,5H2,1-3H3;1-2,7,13H,3-6H2,(H2,11,12)/t17-;;;;/m1..../s1.

What are the key properties of [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 1817.50 g/mol, XLogP of 14.34, 12 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [6-amino-3-(oxolan-3-yl)-2-pyridinyl]methanol;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-(hydroxymethyl)-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157463839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).