(3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C26H24F3N5O2 — CID 163383448

About (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163383448) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• PubChem CID: 163383448
• Molecular Formula: C26H24F3N5O2
• Molecular Weight: 495.51 g/mol
• Exact Mass: 495.19
• IUPAC Name: (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• SMILES: C[C@@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCC[C@@H]3C#N)cc21
• InChI: InChI=1S/C26H24F3N5O2/c1-14-23-20(13-36-14)19-9-15(5-8-21(19)33-24(23)31)25(35)34(22-4-2-3-16(22)10-30)12-18-7-6-17(11-32-18)26(27,28)29/h5-9,11,14,16,22H,2-4,12-13H2,1H3,(H2,31,33)/t14-,16+,22+/m0/s1
• InChIKey: RBNQHPPUDOPOTJ-GZWGPKMKSA-N
• XLogP: 5.16
• TPSA: 105.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.51
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The IUPAC name of (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163383448) is (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

What is the SMILES notation for (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The canonical SMILES for (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is C[C@@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCC[C@@H]3C#N)cc21.

What is the InChIKey of (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The InChIKey is RBNQHPPUDOPOTJ-GZWGPKMKSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-14-23-20(13-36-14)19-9-15(5-8-21(19)33-24(23)31)25(35)34(22-4-2-3-16(22)10-30)12-18-7-6-17(11-32-18)26(27,28)29/h5-9,11,14,16,22H,2-4,12-13H2,1H3,(H2,31,33)/t14-,16+,22+/m0/s1.

What are the key properties of (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

(3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).