tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine

C67H70N18O9 — CID 158098116

About tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine

tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine (PubChem CID 158098116) has the molecular formula C67H70N18O9 and a molecular weight of 1271.41 g/mol. Its IUPAC name is tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

• Compound Name: tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine
• PubChem CID: 158098116
• Molecular Formula: C67H70N18O9
• Molecular Weight: 1271.41 g/mol
• Exact Mass: 1270.56
• IUPAC Name: tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine
• SMILES: COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3c[nH]c4nccnc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)cn2)cn1.COc1ccc(CNc2ccc(Cc3c[nH]c4nccnc34)cn2)cn1.c1cnc2[nH]ccc2n1
• InChI: InChI=1S/C24H26N6O4.C19H18N6O.C18H21N3O4.C6H5N3/c1-24(2,3)34-23(32)30(14-15-5-8-19(33-4)28-11-15)18-7-6-16(12-27-18)21(31)17-13-29-22-20(17)25-9-10-26-22;1-26-17-5-3-14(11-24-17)10-23-16-4-2-13(9-22-16)8-15-12-25-19-18(15)20-6-7-21-19;1-18(2,3)25-17(23)21(15-7-5-14(12-22)10-19-15)11-13-6-8-16(24-4)20-9-13;1-2-8-6-5(1)7-3-4-9-6/h5-13,21,31H,14H2,1-4H3,(H,26,29);2-7,9,11-12H,8,10H2,1H3,(H,21,25)(H,22,23);5-10,12H,11H2,1-4H3;1-4H,(H,8,9)
• InChIKey: FOXLJKWLGSTMTA-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 338.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1271.41
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine?

The IUPAC name of tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine (CID 158098116) is tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine.

What is the SMILES notation for tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine?

The canonical SMILES for tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine is COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3c[nH]c4nccnc34)cn2)cn1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)cn2)cn1.COc1ccc(CNc2ccc(Cc3c[nH]c4nccnc34)cn2)cn1.c1cnc2[nH]ccc2n1.

What is the InChIKey of tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine?

The InChIKey is FOXLJKWLGSTMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4.C19H18N6O.C18H21N3O4.C6H5N3/c1-24(2,3)34-23(32)30(14-15-5-8-19(33-4)28-11-15)18-7-6-16(12-27-18)21(31)17-13-29-22-20(17)25-9-10-26-22;1-26-17-5-3-14(11-24-17)10-23-16-4-2-13(9-22-16)8-15-12-25-19-18(15)20-6-7-21-19;1-18(2,3)25-17(23)21(15-7-5-14(12-22)10-19-15)11-13-6-8-16(24-4)20-9-13;1-2-8-6-5(1)7-3-4-9-6/h5-13,21,31H,14H2,1-4H3,(H,26,29);2-7,9,11-12H,8,10H2,1H3,(H,21,25)(H,22,23);5-10,12H,11H2,1-4H3;1-4H,(H,8,9).

What are the key properties of tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine?

tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 1271.41 g/mol, XLogP of 10.94, 17 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-[5-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;N-[(6-methoxy-3-pyridinyl)methyl]-5-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)pyridin-2-amine;5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 158098116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).