tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine

C58H56F2N20O9 — CID 160823406

About tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine

tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 160823406) has the molecular formula C58H56F2N20O9 and a molecular weight of 1215.21 g/mol. Its IUPAC name is tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

• Compound Name: tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
• PubChem CID: 160823406
• Molecular Formula: C58H56F2N20O9
• Molecular Weight: 1215.21 g/mol
• Exact Mass: 1214.45
• IUPAC Name: tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
• SMILES: CC(C)(C)OC(=O)NNC(=O)c1c[nH]c2ncccc12.CNCC(=O)NNC(=O)c1c[nH]c2ncccc12.CNCc1nnc(-c2c[nH]c3ncccc23)o1.O=C(NCc1nnc(-c2c[nH]c3ncccc23)o1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
• InChI: InChI=1S/C23H16F2N6O3.C13H16N4O3.C11H13N5O2.C11H11N5O/c24-17-6-5-13(9-18(17)25)12-31-8-2-4-15(23(31)33)21(32)28-11-19-29-30-22(34-19)16-10-27-20-14(16)3-1-7-26-20;1-13(2,3)20-12(19)17-16-11(18)9-7-15-10-8(9)5-4-6-14-10;1-12-6-9(17)15-16-11(18)8-5-14-10-7(8)3-2-4-13-10;1-12-6-9-15-16-11(17-9)8-5-14-10-7(8)3-2-4-13-10/h1-10H,11-12H2,(H,26,27)(H,28,32);4-7H,1-3H3,(H,14,15)(H,16,18)(H,17,19);2-5,12H,6H2,1H3,(H,13,14)(H,15,17)(H,16,18);2-5,12H,6H2,1H3,(H,13,14)
• InChIKey: SFVMFEOECYZCJR-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 393.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1215.21
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?

The IUPAC name of tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 160823406) is tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine.

What is the SMILES notation for tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?

The canonical SMILES for tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine is CC(C)(C)OC(=O)NNC(=O)c1c[nH]c2ncccc12.CNCC(=O)NNC(=O)c1c[nH]c2ncccc12.CNCc1nnc(-c2c[nH]c3ncccc23)o1.O=C(NCc1nnc(-c2c[nH]c3ncccc23)o1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.

What is the InChIKey of tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?

The InChIKey is SFVMFEOECYZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N6O3.C13H16N4O3.C11H13N5O2.C11H11N5O/c24-17-6-5-13(9-18(17)25)12-31-8-2-4-15(23(31)33)21(32)28-11-19-29-30-22(34-19)16-10-27-20-14(16)3-1-7-26-20;1-13(2,3)20-12(19)17-16-11(18)9-7-15-10-8(9)5-4-6-14-10;1-12-6-9(17)15-16-11(18)8-5-14-10-7(8)3-2-4-13-10;1-12-6-9-15-16-11(17-9)8-5-14-10-7(8)3-2-4-13-10/h1-10H,11-12H2,(H,26,27)(H,28,32);4-7H,1-3H3,(H,14,15)(H,16,18)(H,17,19);2-5,12H,6H2,1H3,(H,13,14)(H,15,17)(H,16,18);2-5,12H,6H2,1H3,(H,13,14).

What are the key properties of tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?

tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 1215.21 g/mol, XLogP of 5.64, 13 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 160823406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).