1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine

C35H27N11S2 — CID 90786105

About 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine

1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine (PubChem CID 90786105) has the molecular formula C35H27N11S2 and a molecular weight of 665.81 g/mol. Its IUPAC name is 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine.

Molecular Properties

• Compound Name: 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine
• PubChem CID: 90786105
• Molecular Formula: C35H27N11S2
• Molecular Weight: 665.81 g/mol
• Exact Mass: 665.19
• IUPAC Name: 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine
• SMILES: Cc1csc(N(c2ncc(-c3ccncc3)c3ccc(C)nc23)N(c2nc(C)cs2)c2ncc(-c3cncnc3)c3ccc(C)nc23)n1
• InChI: InChI=1S/C35H27N11S2/c1-20-5-7-26-28(24-9-11-36-12-10-24)15-39-32(30(26)41-20)45(34-43-22(3)17-47-34)46(35-44-23(4)18-48-35)33-31-27(8-6-21(2)42-31)29(16-40-33)25-13-37-19-38-14-25/h5-19H,1-4H3
• InChIKey: DJHOYYAVESBXHW-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 122.49 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	665.81
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine?

The IUPAC name of 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine (CID 90786105) is 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine.

What is the SMILES notation for 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine?

The canonical SMILES for 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine is Cc1csc(N(c2ncc(-c3ccncc3)c3ccc(C)nc23)N(c2nc(C)cs2)c2ncc(-c3cncnc3)c3ccc(C)nc23)n1.

What is the InChIKey of 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine?

The InChIKey is DJHOYYAVESBXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N11S2/c1-20-5-7-26-28(24-9-11-36-12-10-24)15-39-32(30(26)41-20)45(34-43-22(3)17-47-34)46(35-44-23(4)18-48-35)33-31-27(8-6-21(2)42-31)29(16-40-33)25-13-37-19-38-14-25/h5-19H,1-4H3.

What are the key properties of 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine?

1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine has a molecular weight of 665.81 g/mol, XLogP of 8.13, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine is sourced from PubChem (CID 90786105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).