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

C26H24N4O3S — CID 71002235

IUPAC5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
SMILESCc1ccnc(Nc2cc(C)cc(-c3cnc(C4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1
InChIInChI=1S/C26H24N4O3S/c1-15-7-9-27-22(11-15)30-23-12-16(2)10-20(29-23)21-14-28-25(34-21)26(33)8-3-4-17-13-18(24(31)32)5-6-19(17)26/h5-7,9-14,33H,3-4,8H2,1-2H3,(H,31,32)(H,27,29,30)
InChIKeyNOGBEJAUAKIDHX-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.23
Rot. Bonds5

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

5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid (PubChem CID 71002235) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
PubChem CID71002235
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
SMILESCc1ccnc(Nc2cc(C)cc(-c3cnc(C4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1
InChIInChI=1S/C26H24N4O3S/c1-15-7-9-27-22(11-15)30-23-12-16(2)10-20(29-23)21-14-28-25(34-21)26(33)8-3-4-17-13-18(24(31)32)5-6-19(17)26/h5-7,9-14,33H,3-4,8H2,1-2H3,(H,31,32)(H,27,29,30)
InChIKeyNOGBEJAUAKIDHX-UHFFFAOYSA-N
XLogP5.23
TPSA108.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The IUPAC name of 5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid (CID 71002235) is 5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid is Cc1ccnc(Nc2cc(C)cc(-c3cnc(C4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1.
What is the InChIKey of 5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The InChIKey is NOGBEJAUAKIDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-15-7-9-27-22(11-15)30-23-12-16(2)10-20(29-23)21-14-28-25(34-21)26(33)8-3-4-17-13-18(24(31)32)5-6-19(17)26/h5-7,9-14,33H,3-4,8H2,1-2H3,(H,31,32)(H,27,29,30).
What are the key properties of 5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid has a molecular weight of 472.57 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 71002235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).