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

C27H26N4O4S — CID 75202184

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

(1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid (PubChem CID 75202184) has the molecular formula C27H26N4O4S and a molecular weight of 502.60 g/mol. Its IUPAC name is (1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid.

Molecular Properties

• Compound Name: (1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid
• PubChem CID: 75202184
• Molecular Formula: C27H26N4O4S
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.17
• IUPAC Name: (1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid
• SMILES: CCCOc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCc5cc(C(=O)O)ccc54)s3)n2)c1
• InChI: InChI=1S/C27H26N4O4S/c1-3-10-35-19-7-9-28-23(14-19)31-24-12-16(2)11-21(30-24)22-15-29-26(36-22)27(34)8-6-17-13-18(25(32)33)4-5-20(17)27/h4-5,7,9,11-15,34H,3,6,8,10H2,1-2H3,(H,32,33)(H,28,30,31)/t27-/m1/s1
• InChIKey: NOAGZLKMALUING-HHHXNRCGSA-N
• XLogP: 5.32
• TPSA: 117.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid (CID 75202184) is (1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid.

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

The canonical SMILES for (1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid is CCCOc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCc5cc(C(=O)O)ccc54)s3)n2)c1.

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

The InChIKey is NOAGZLKMALUING-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H26N4O4S/c1-3-10-35-19-7-9-28-23(14-19)31-24-12-16(2)11-21(30-24)22-15-29-26(36-22)27(34)8-6-17-13-18(25(32)33)4-5-20(17)27/h4-5,7,9,11-15,34H,3,6,8,10H2,1-2H3,(H,32,33)(H,28,30,31)/t27-/m1/s1.

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

(1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid has a molecular weight of 502.60 g/mol, XLogP of 5.32, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid is sourced from PubChem (CID 75202184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).