(5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid

C26H24N4O4S — CID 70977776

About (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid

(5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid (PubChem CID 70977776) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid.

Molecular Properties

• Compound Name: (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
• PubChem CID: 70977776
• Molecular Formula: C26H24N4O4S
• Molecular Weight: 488.57 g/mol
• Exact Mass: 488.15
• IUPAC Name: (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
• SMILES: COc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1
• InChI: InChI=1S/C26H24N4O4S/c1-15-10-20(29-23(11-15)30-22-13-18(34-2)7-9-27-22)21-14-28-25(35-21)26(33)8-3-4-16-12-17(24(31)32)5-6-19(16)26/h5-7,9-14,33H,3-4,8H2,1-2H3,(H,31,32)(H,27,29,30)/t26-/m1/s1
• InChIKey: PLNKGQHICRZXGJ-AREMUKBSSA-N
• XLogP: 4.93
• TPSA: 117.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.57
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid?

The IUPAC name of (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid (CID 70977776) is (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid.

What is the SMILES notation for (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid?

The canonical SMILES for (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid is COc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1.

What is the InChIKey of (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid?

The InChIKey is PLNKGQHICRZXGJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-15-10-20(29-23(11-15)30-22-13-18(34-2)7-9-27-22)21-14-28-25(35-21)26(33)8-3-4-16-12-17(24(31)32)5-6-19(16)26/h5-7,9-14,33H,3-4,8H2,1-2H3,(H,31,32)(H,27,29,30)/t26-/m1/s1.

What are the key properties of (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid?

(5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid has a molecular weight of 488.57 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 70977776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).