(1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid

C26H23FN4O3S — CID 75202233

About (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid

(1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid (PubChem CID 75202233) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid.

Molecular Properties

• Compound Name: (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid
• PubChem CID: 75202233
• Molecular Formula: C26H23FN4O3S
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.15
• IUPAC Name: (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid
• SMILES: Cc1cc(Nc2cc(C(C)F)ccn2)nc(-c2cnc([C@@]3(O)CCc4cc(C(=O)O)ccc43)s2)c1
• InChI: InChI=1S/C26H23FN4O3S/c1-14-9-20(30-23(10-14)31-22-12-16(15(2)27)6-8-28-22)21-13-29-25(35-21)26(34)7-5-17-11-18(24(32)33)3-4-19(17)26/h3-4,6,8-13,15,34H,5,7H2,1-2H3,(H,32,33)(H,28,30,31)/t15?,26-/m1/s1
• InChIKey: BGZFTAWLCKBONW-LYGOMILNSA-N
• XLogP: 5.56
• TPSA: 108.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid?

The IUPAC name of (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid (CID 75202233) is (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid.

What is the SMILES notation for (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid?

The canonical SMILES for (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid is Cc1cc(Nc2cc(C(C)F)ccn2)nc(-c2cnc([C@@]3(O)CCc4cc(C(=O)O)ccc43)s2)c1.

What is the InChIKey of (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid?

The InChIKey is BGZFTAWLCKBONW-LYGOMILNSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c1-14-9-20(30-23(10-14)31-22-12-16(15(2)27)6-8-28-22)21-13-29-25(35-21)26(34)7-5-17-11-18(24(32)33)3-4-19(17)26/h3-4,6,8-13,15,34H,5,7H2,1-2H3,(H,32,33)(H,28,30,31)/t15?,26-/m1/s1.

What are the key properties of (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid?

(1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid has a molecular weight of 490.56 g/mol, XLogP of 5.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[5-[6-[[4-(1-fluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxy-2,3-dihydroindene-5-carboxylic acid is sourced from PubChem (CID 75202233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).