(3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C24H23F4N5O3 — CID 163382626

About (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163382626) has the molecular formula C24H23F4N5O3 and a molecular weight of 505.47 g/mol. Its IUPAC name is (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• PubChem CID: 163382626
• Molecular Formula: C24H23F4N5O3
• Molecular Weight: 505.47 g/mol
• Exact Mass: 505.17
• IUPAC Name: (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• SMILES: C[C@H]1OCc2c1c(N)nc1cc(F)c(C(=O)N(Cc3ccc(OCC(F)(F)F)nn3)CC3CC3)cc21
• InChI: InChI=1S/C24H23F4N5O3/c1-12-21-17(10-35-12)15-6-16(18(25)7-19(15)30-22(21)29)23(34)33(8-13-2-3-13)9-14-4-5-20(32-31-14)36-11-24(26,27)28/h4-7,12-13H,2-3,8-11H2,1H3,(H2,29,30)/t12-/m1/s1
• InChIKey: BTZJEWSRPOAENH-GFCCVEGCSA-N
• XLogP: 4.33
• TPSA: 103.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.47
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The IUPAC name of (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163382626) is (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

What is the SMILES notation for (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The canonical SMILES for (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is C[C@H]1OCc2c1c(N)nc1cc(F)c(C(=O)N(Cc3ccc(OCC(F)(F)F)nn3)CC3CC3)cc21.

What is the InChIKey of (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The InChIKey is BTZJEWSRPOAENH-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H23F4N5O3/c1-12-21-17(10-35-12)15-6-16(18(25)7-19(15)30-22(21)29)23(34)33(8-13-2-3-13)9-14-4-5-20(32-31-14)36-11-24(26,27)28/h4-7,12-13H,2-3,8-11H2,1H3,(H2,29,30)/t12-/m1/s1.

What are the key properties of (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

(3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 505.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-amino-N-(cyclopropylmethyl)-7-fluoro-3-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).