(3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C28H22F6N4O5 — CID 164910515

About (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164910515) has the molecular formula C28H22F6N4O5 and a molecular weight of 608.50 g/mol. Its IUPAC name is (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 164910515
• Molecular Formula: C28H22F6N4O5
• Molecular Weight: 608.50 g/mol
• Exact Mass: 608.15
• IUPAC Name: (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@]1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc3c(OC(F)F)cccc3[nH]1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C28H22F6N4O5/c1-26(24(35)40)12-42-22-16(26)10-20(38-21(22)13-5-7-14(29)8-6-13)27(41,28(32,33)34)11-36-23(39)18-9-15-17(37-18)3-2-4-19(15)43-25(30)31/h2-10,25,37,41H,11-12H2,1H3,(H2,35,40)(H,36,39)/t26-,27?/m0/s1
• InChIKey: CYDCASXTACIYDX-QBHOUYDASA-N
• XLogP: 4.29
• TPSA: 139.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.50
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164910515) is (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@]1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc3c(OC(F)F)cccc3[nH]1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is CYDCASXTACIYDX-QBHOUYDASA-N. The full InChI is InChI=1S/C28H22F6N4O5/c1-26(24(35)40)12-42-22-16(26)10-20(38-21(22)13-5-7-14(29)8-6-13)27(41,28(32,33)34)11-36-23(39)18-9-15-17(37-18)3-2-4-19(15)43-25(30)31/h2-10,25,37,41H,11-12H2,1H3,(H2,35,40)(H,36,39)/t26-,27?/m0/s1.

What are the key properties of (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 608.50 g/mol, XLogP of 4.29, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164910515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).