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

C26H20ClF3N4O3S — CID 70977827

IUPAC5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid
SMILESCc1cc(Nc2cc(C(F)(F)F)c(Cl)cn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)O)ccc43)s2)c1
InChIInChI=1S/C26H20ClF3N4O3S/c1-13-7-19(33-22(8-13)34-21-10-17(26(28,29)30)18(27)11-31-21)20-12-32-24(38-20)25(37)6-2-3-14-9-15(23(35)36)4-5-16(14)25/h4-5,7-12,37H,2-3,6H2,1H3,(H,35,36)(H,31,33,34)
InChIKeyQFYBIVGGJCSWBY-UHFFFAOYSA-N
MW560.99 g/mol
LogP6.59
Rot. Bonds5

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

5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid (PubChem CID 70977827) has the molecular formula C26H20ClF3N4O3S and a molecular weight of 560.99 g/mol. Its IUPAC name is 5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid
PubChem CID70977827
Molecular FormulaC26H20ClF3N4O3S
Molecular Weight560.99 g/mol
Exact Mass560.09
IUPAC Name5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid
SMILESCc1cc(Nc2cc(C(F)(F)F)c(Cl)cn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)O)ccc43)s2)c1
InChIInChI=1S/C26H20ClF3N4O3S/c1-13-7-19(33-22(8-13)34-21-10-17(26(28,29)30)18(27)11-31-21)20-12-32-24(38-20)25(37)6-2-3-14-9-15(23(35)36)4-5-16(14)25/h4-5,7-12,37H,2-3,6H2,1H3,(H,35,36)(H,31,33,34)
InChIKeyQFYBIVGGJCSWBY-UHFFFAOYSA-N
XLogP6.59
TPSA108.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.99
LogP ≤ 56.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The IUPAC name of 5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid (CID 70977827) is 5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The canonical SMILES for 5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid is Cc1cc(Nc2cc(C(F)(F)F)c(Cl)cn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)O)ccc43)s2)c1.
What is the InChIKey of 5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The InChIKey is QFYBIVGGJCSWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N4O3S/c1-13-7-19(33-22(8-13)34-21-10-17(26(28,29)30)18(27)11-31-21)20-12-32-24(38-20)25(37)6-2-3-14-9-15(23(35)36)4-5-16(14)25/h4-5,7-12,37H,2-3,6H2,1H3,(H,35,36)(H,31,33,34).
What are the key properties of 5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid has a molecular weight of 560.99 g/mol, XLogP of 6.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 70977827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).