4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide

C26H24F2N6O — CID 163382655

About 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide

4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 163382655) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide
• PubChem CID: 163382655
• Molecular Formula: C26H24F2N6O
• Molecular Weight: 474.52 g/mol
• Exact Mass: 474.20
• IUPAC Name: 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide
• SMILES: C[C@H](c1ncccn1)N(Cc1ccc(C(F)F)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CCC3
• InChI: InChI=1S/C26H24F2N6O/c1-15(25-30-10-3-11-31-25)34(14-18-8-6-17(13-32-18)23(27)28)26(35)16-7-9-22-21(12-16)19-4-2-5-20(19)24(29)33-22/h3,6-13,15,23H,2,4-5,14H2,1H3,(H2,29,33)/t15-/m1/s1
• InChIKey: GPSPYVYZHPVOOW-OAHLLOKOSA-N
• XLogP: 4.83
• TPSA: 97.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.52
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide?

The IUPAC name of 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide (CID 163382655) is 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide.

What is the SMILES notation for 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide?

The canonical SMILES for 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide is C[C@H](c1ncccn1)N(Cc1ccc(C(F)F)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)CCC3.

What is the InChIKey of 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide?

The InChIKey is GPSPYVYZHPVOOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H24F2N6O/c1-15(25-30-10-3-11-31-25)34(14-18-8-6-17(13-32-18)23(27)28)26(35)16-7-9-22-21(12-16)19-4-2-5-20(19)24(29)33-22/h3,6-13,15,23H,2,4-5,14H2,1H3,(H2,29,33)/t15-/m1/s1.

What are the key properties of 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide?

4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 163382655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).