4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C22H18F4N4O2 — CID 164867085

About 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 164867085) has the molecular formula C22H18F4N4O2 and a molecular weight of 446.40 g/mol. Its IUPAC name is 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• PubChem CID: 164867085
• Molecular Formula: C22H18F4N4O2
• Molecular Weight: 446.40 g/mol
• Exact Mass: 446.14
• IUPAC Name: 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• SMILES: CN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)[C@H]1CCc2nc(C(F)(F)F)ccc21
• InChI: InChI=1S/C22H18F4N4O2/c1-30(18-4-3-16-10(18)2-5-19(28-16)22(24,25)26)21(31)12-6-11-13-8-32-9-14(13)20(27)29-17(11)7-15(12)23/h2,5-7,18H,3-4,8-9H2,1H3,(H2,27,29)/t18-/m0/s1
• InChIKey: VEZBYRJUWCMSEP-SFHVURJKSA-N
• XLogP: 4.16
• TPSA: 81.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.40
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The IUPAC name of 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 164867085) is 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

What is the SMILES notation for 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The canonical SMILES for 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)[C@H]1CCc2nc(C(F)(F)F)ccc21.

What is the InChIKey of 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The InChIKey is VEZBYRJUWCMSEP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H18F4N4O2/c1-30(18-4-3-16-10(18)2-5-19(28-16)22(24,25)26)21(31)12-6-11-13-8-32-9-14(13)20(27)29-17(11)7-15(12)23/h2,5-7,18H,3-4,8-9H2,1H3,(H2,27,29)/t18-/m0/s1.

What are the key properties of 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 446.40 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).