tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

C69H74F2N20O15 — CID 172961497

About tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 172961497) has the molecular formula C69H74F2N20O15 and a molecular weight of 1461.47 g/mol. Its IUPAC name is tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
• PubChem CID: 172961497
• Molecular Formula: C69H74F2N20O15
• Molecular Weight: 1461.47 g/mol
• Exact Mass: 1460.56
• IUPAC Name: tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NC/C(N)=N/O.CC(C)(C)OC(=O)NCC#N.CC(C)(C)OC(=O)NCc1noc(-c2c[nH]c3ncccc23)n1.COC(=O)c1c[nH]c2ncccc12.O=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1c[nH]c2ncccc12
• InChI: InChI=1S/C23H16F2N6O3.C15H17N5O3.C9H8N2O2.C8H6N2O2.C7H15N3O3.C7H12N2O2/c24-17-6-5-13(9-18(17)25)12-31-8-2-4-15(23(31)33)21(32)28-11-19-29-22(34-30-19)16-10-27-20-14(16)3-1-7-26-20;1-15(2,3)22-14(21)18-8-11-19-13(23-20-11)10-7-17-12-9(10)5-4-6-16-12;1-13-9(12)7-5-11-8-6(7)3-2-4-10-8;11-8(12)6-4-10-7-5(6)2-1-3-9-7;1-7(2,3)13-6(11)9-4-5(8)10-12;1-7(2,3)11-6(10)9-5-4-8/h1-10H,11-12H2,(H,26,27)(H,28,32);4-7H,8H2,1-3H3,(H,16,17)(H,18,21);2-5H,1H3,(H,10,11);1-4H,(H,9,10)(H,11,12);12H,4H2,1-3H3,(H2,8,10)(H,9,11);5H2,1-3H3,(H,9,10)
• InChIKey: UORHTFQRAYKNRH-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 504.65 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1461.47
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The IUPAC name of tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 172961497) is tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

What is the SMILES notation for tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The canonical SMILES for tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)NC/C(N)=N/O.CC(C)(C)OC(=O)NCC#N.CC(C)(C)OC(=O)NCc1noc(-c2c[nH]c3ncccc23)n1.COC(=O)c1c[nH]c2ncccc12.O=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1c[nH]c2ncccc12.

What is the InChIKey of tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

The InChIKey is UORHTFQRAYKNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N6O3.C15H17N5O3.C9H8N2O2.C8H6N2O2.C7H15N3O3.C7H12N2O2/c24-17-6-5-13(9-18(17)25)12-31-8-2-4-15(23(31)33)21(32)28-11-19-29-22(34-30-19)16-10-27-20-14(16)3-1-7-26-20;1-15(2,3)22-14(21)18-8-11-19-13(23-20-11)10-7-17-12-9(10)5-4-6-16-12;1-13-9(12)7-5-11-8-6(7)3-2-4-10-8;11-8(12)6-4-10-7-5(6)2-1-3-9-7;1-7(2,3)13-6(11)9-4-5(8)10-12;1-7(2,3)11-6(10)9-5-4-8/h1-10H,11-12H2,(H,26,27)(H,28,32);4-7H,8H2,1-3H3,(H,16,17)(H,18,21);2-5H,1H3,(H,10,11);1-4H,(H,9,10)(H,11,12);12H,4H2,1-3H3,(H2,8,10)(H,9,11);5H2,1-3H3,(H,9,10).

What are the key properties of tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?

tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 1461.47 g/mol, XLogP of 9.57, 14 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate;tert-butyl N-(cyanomethyl)carbamate;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 172961497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).