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

C27H23F3N4O3S — CID 89485902

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

(5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid (PubChem CID 89485902) has the molecular formula C27H23F3N4O3S and a molecular weight of 540.57 g/mol. Its IUPAC name is (5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid.

Molecular Properties

• Compound Name: (5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid
• PubChem CID: 89485902
• Molecular Formula: C27H23F3N4O3S
• Molecular Weight: 540.57 g/mol
• Exact Mass: 540.14
• IUPAC Name: (5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid
• SMILES: Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4c3ccc(C)c4C(=O)O)s2)c1
• InChI: InChI=1S/C27H23F3N4O3S/c1-14-10-19(33-22(11-14)34-21-12-16(7-9-31-21)27(28,29)30)20-13-32-25(38-20)26(37)8-3-4-17-18(26)6-5-15(2)23(17)24(35)36/h5-7,9-13,37H,3-4,8H2,1-2H3,(H,35,36)(H,31,33,34)/t26-/m1/s1
• InChIKey: KKUJYRRFMXWGOJ-AREMUKBSSA-N
• XLogP: 6.25
• TPSA: 108.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.57
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid (CID 89485902) is (5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid.

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

The canonical SMILES for (5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4c3ccc(C)c4C(=O)O)s2)c1.

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

The InChIKey is KKUJYRRFMXWGOJ-AREMUKBSSA-N. The full InChI is InChI=1S/C27H23F3N4O3S/c1-14-10-19(33-22(11-14)34-21-12-16(7-9-31-21)27(28,29)30)20-13-32-25(38-20)26(37)8-3-4-17-18(26)6-5-15(2)23(17)24(35)36/h5-7,9-13,37H,3-4,8H2,1-2H3,(H,35,36)(H,31,33,34)/t26-/m1/s1.

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

(5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid has a molecular weight of 540.57 g/mol, XLogP of 6.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 89485902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).