methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate

C24H28F4N4O3 — CID 163575082

About methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate

methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate (PubChem CID 163575082) has the molecular formula C24H28F4N4O3 and a molecular weight of 496.51 g/mol. Its IUPAC name is methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate.

Molecular Properties

• Compound Name: methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate
• PubChem CID: 163575082
• Molecular Formula: C24H28F4N4O3
• Molecular Weight: 496.51 g/mol
• Exact Mass: 496.21
• IUPAC Name: methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate
• SMILES: C=C(N)C(=NC(C)(C)NCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C)C(F)(F)F)OC
• InChI: InChI=1S/C24H28F4N4O3/c1-13-11-35-20-17(13)10-18(31-19(20)15-6-8-16(25)9-7-15)23(33,24(26,27)28)12-30-22(3,4)32-21(34-5)14(2)29/h6-10,13,30,33H,2,11-12,29H2,1,3-5H3
• InChIKey: GCTIYGSQLPMBQF-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 101.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.51
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate?

The IUPAC name of methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate (CID 163575082) is methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate.

What is the SMILES notation for methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate?

The canonical SMILES for methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate is C=C(N)C(=NC(C)(C)NCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C)C(F)(F)F)OC.

What is the InChIKey of methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate?

The InChIKey is GCTIYGSQLPMBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O3/c1-13-11-35-20-17(13)10-18(31-19(20)15-6-8-16(25)9-7-15)23(33,24(26,27)28)12-30-22(3,4)32-21(34-5)14(2)29/h6-10,13,30,33H,2,11-12,29H2,1,3-5H3.

What are the key properties of methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate?

methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate has a molecular weight of 496.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate is sourced from PubChem (CID 163575082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).