[2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate

C19H15ClFN7O4 — CID 170167422

About [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate

[2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate (PubChem CID 170167422) has the molecular formula C19H15ClFN7O4 and a molecular weight of 459.83 g/mol. Its IUPAC name is [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate.

Molecular Properties

• Compound Name: [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate
• PubChem CID: 170167422
• Molecular Formula: C19H15ClFN7O4
• Molecular Weight: 459.83 g/mol
• Exact Mass: 459.09
• IUPAC Name: [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate
• SMILES: O=COCC(=O)Nc1cn2cc(-c3c(Cl)c(F)c(OC4CNC4)c4[nH]ncc34)ncc2n1
• InChI: InChI=1S/C19H15ClFN7O4/c20-16-15(10-3-24-27-18(10)19(17(16)21)32-9-1-22-2-9)11-5-28-6-12(25-13(28)4-23-11)26-14(30)7-31-8-29/h3-6,8-9,22H,1-2,7H2,(H,24,27)(H,26,30)
• InChIKey: LWMHOIOBQQXWID-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 135.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.83
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate?

The IUPAC name of [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate (CID 170167422) is [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate.

What is the SMILES notation for [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate?

The canonical SMILES for [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate is O=COCC(=O)Nc1cn2cc(-c3c(Cl)c(F)c(OC4CNC4)c4[nH]ncc34)ncc2n1.

What is the InChIKey of [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate?

The InChIKey is LWMHOIOBQQXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN7O4/c20-16-15(10-3-24-27-18(10)19(17(16)21)32-9-1-22-2-9)11-5-28-6-12(25-13(28)4-23-11)26-14(30)7-31-8-29/h3-6,8-9,22H,1-2,7H2,(H,24,27)(H,26,30).

What are the key properties of [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate?

[2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate has a molecular weight of 459.83 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]amino]-2-oxoethyl] formate is sourced from PubChem (CID 170167422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).