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

C22H18F4N6O — CID 164867458

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

4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 164867458) has the molecular formula C22H18F4N6O and a molecular weight of 458.42 g/mol. Its IUPAC name is 4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
• PubChem CID: 164867458
• Molecular Formula: C22H18F4N6O
• Molecular Weight: 458.42 g/mol
• Exact Mass: 458.15
• IUPAC Name: 4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
• SMILES: CN(C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C)[C@H]1CCc2nc(C(F)(F)F)ccc21
• InChI: InChI=1S/C22H18F4N6O/c1-31(17-5-4-15-10(17)3-6-18(29-15)22(24,25)26)21(33)12-7-11-13-9-28-32(2)19(13)20(27)30-16(11)8-14(12)23/h3,6-9,17H,4-5H2,1-2H3,(H2,27,30)/t17-/m0/s1
• InChIKey: RQXQRIROGQYXBW-KRWDZBQOSA-N
• XLogP: 4.02
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.42
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (CID 164867458) is 4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide.

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

The canonical SMILES for 4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is CN(C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C)[C@H]1CCc2nc(C(F)(F)F)ccc21.

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

The InChIKey is RQXQRIROGQYXBW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H18F4N6O/c1-31(17-5-4-15-10(17)3-6-18(29-15)22(24,25)26)21(33)12-7-11-13-9-28-32(2)19(13)20(27)30-16(11)8-14(12)23/h3,6-9,17H,4-5H2,1-2H3,(H2,27,30)/t17-/m0/s1.

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

4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 458.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).