N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide

C19H25N9O3 — CID 135225981

About N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide

N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide (PubChem CID 135225981) has the molecular formula C19H25N9O3 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide
• PubChem CID: 135225981
• Molecular Formula: C19H25N9O3
• Molecular Weight: 427.47 g/mol
• Exact Mass: 427.21
• IUPAC Name: N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide
• SMILES: C=CC(=O)NC1CN(c2nc(Nc3cn(C)nc3OC)c3ncc(OC)n3n2)CC1C
• InChI: InChI=1S/C19H25N9O3/c1-6-14(29)21-12-10-27(8-11(12)2)19-23-16(17-20-7-15(30-4)28(17)25-19)22-13-9-26(3)24-18(13)31-5/h6-7,9,11-12H,1,8,10H2,2-5H3,(H,21,29)(H,22,23,25)
• InChIKey: DYRVRGYBUUJMGN-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 123.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.47
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide?

The IUPAC name of N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide (CID 135225981) is N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide.

What is the SMILES notation for N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide?

The canonical SMILES for N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide is C=CC(=O)NC1CN(c2nc(Nc3cn(C)nc3OC)c3ncc(OC)n3n2)CC1C.

What is the InChIKey of N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide?

The InChIKey is DYRVRGYBUUJMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O3/c1-6-14(29)21-12-10-27(8-11(12)2)19-23-16(17-20-7-15(30-4)28(17)25-19)22-13-9-26(3)24-18(13)31-5/h6-7,9,11-12H,1,8,10H2,2-5H3,(H,21,29)(H,22,23,25).

What are the key properties of N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide?

N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide has a molecular weight of 427.47 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[7-methoxy-4-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[2,1-f][1,2,4]triazin-2-yl]-4-methylpyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 135225981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).