5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide

C24H27N9O3 — CID 145287152

About 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide

5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide (PubChem CID 145287152) has the molecular formula C24H27N9O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide
• PubChem CID: 145287152
• Molecular Formula: C24H27N9O3
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.22
• IUPAC Name: 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide
• SMILES: C=N/C=C(\OCCN(CCNC)C(=O)c1cnn(-c2nn3cccc3c(=O)[nH]2)c1C)c1cccnc1
• InChI: InChI=1S/C24H27N9O3/c1-17-19(15-28-33(17)24-29-22(34)20-7-5-10-32(20)30-24)23(35)31(11-9-25-2)12-13-36-21(16-26-3)18-6-4-8-27-14-18/h4-8,10,14-16,25H,3,9,11-13H2,1-2H3,(H,29,30,34)/b21-16-
• InChIKey: KPWDIDWFXNTQDA-PGMHBOJBSA-N
• XLogP: 1.29
• TPSA: 134.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide (CID 145287152) is 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide is C=N/C=C(\OCCN(CCNC)C(=O)c1cnn(-c2nn3cccc3c(=O)[nH]2)c1C)c1cccnc1.

What is the InChIKey of 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide?

The InChIKey is KPWDIDWFXNTQDA-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H27N9O3/c1-17-19(15-28-33(17)24-29-22(34)20-7-5-10-32(20)30-24)23(35)31(11-9-25-2)12-13-36-21(16-26-3)18-6-4-8-27-14-18/h4-8,10,14-16,25H,3,9,11-13H2,1-2H3,(H,29,30,34)/b21-16-.

What are the key properties of 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide?

5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 1.29, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-(methylamino)ethyl]-N-[2-[(Z)-2-(methylideneamino)-1-pyridin-3-ylethenoxy]ethyl]-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 145287152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).