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

C23H22F3N5O2 — CID 163382856

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

(3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163382856) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is (3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-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-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• PubChem CID: 163382856
• Molecular Formula: C23H22F3N5O2
• Molecular Weight: 457.46 g/mol
• Exact Mass: 457.17
• IUPAC Name: (3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-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]3C[C@@H]3N)cc21
• InChI: InChI=1S/C23H22F3N5O2/c1-11-20-16(10-33-11)15-6-12(2-5-18(15)30-21(20)28)22(32)31(19-7-17(19)27)9-14-4-3-13(8-29-14)23(24,25)26/h2-6,8,11,17,19H,7,9-10,27H2,1H3,(H2,28,30)/t11-,17-,19+/m0/s1
• InChIKey: IYTUFFUBHBUSGX-WOVYWWTOSA-N
• XLogP: 3.56
• TPSA: 107.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.46
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-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-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163382856) is (3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-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-aminocyclopropyl]-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-aminocyclopropyl]-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]3C[C@@H]3N)cc21.

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

The InChIKey is IYTUFFUBHBUSGX-WOVYWWTOSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-11-20-16(10-33-11)15-6-12(2-5-18(15)30-21(20)28)22(32)31(19-7-17(19)27)9-14-4-3-13(8-29-14)23(24,25)26/h2-6,8,11,17,19H,7,9-10,27H2,1H3,(H2,28,30)/t11-,17-,19+/m0/s1.

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

(3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).