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

C28H24N6O4S — CID 70977925

IUPAC5-hydroxy-5-[5-[4-methyl-6-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
SMILESCc1cc(Nc2cc(-c3nnc(C)o3)ccn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)O)ccc43)s2)c1
InChIInChI=1S/C28H24N6O4S/c1-15-10-21(31-24(11-15)32-23-13-18(7-9-29-23)25-34-33-16(2)38-25)22-14-30-27(39-22)28(37)8-3-4-17-12-19(26(35)36)5-6-20(17)28/h5-7,9-14,37H,3-4,8H2,1-2H3,(H,35,36)(H,29,31,32)
InChIKeyMBQJUGGJAMEUOI-UHFFFAOYSA-N
MW540.61 g/mol
LogP5.28
Rot. Bonds6

About 5-hydroxy-5-[5-[4-methyl-6-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-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-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid (PubChem CID 70977925) has the molecular formula C28H24N6O4S and a molecular weight of 540.61 g/mol. Its IUPAC name is 5-hydroxy-5-[5-[4-methyl-6-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-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-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
PubChem CID70977925
Molecular FormulaC28H24N6O4S
Molecular Weight540.61 g/mol
Exact Mass540.16
IUPAC Name5-hydroxy-5-[5-[4-methyl-6-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
SMILESCc1cc(Nc2cc(-c3nnc(C)o3)ccn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)O)ccc43)s2)c1
InChIInChI=1S/C28H24N6O4S/c1-15-10-21(31-24(11-15)32-23-13-18(7-9-29-23)25-34-33-16(2)38-25)22-14-30-27(39-22)28(37)8-3-4-17-12-19(26(35)36)5-6-20(17)28/h5-7,9-14,37H,3-4,8H2,1-2H3,(H,35,36)(H,29,31,32)
InChIKeyMBQJUGGJAMEUOI-UHFFFAOYSA-N
XLogP5.28
TPSA147.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.61
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-hydroxy-5-[5-[4-methyl-6-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-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-(5-methyl-1,3,4-oxadiazol-2-yl)-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-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid (CID 70977925) is 5-hydroxy-5-[5-[4-methyl-6-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-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-(5-methyl-1,3,4-oxadiazol-2-yl)-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-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid is Cc1cc(Nc2cc(-c3nnc(C)o3)ccn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)O)ccc43)s2)c1.
What is the InChIKey of 5-hydroxy-5-[5-[4-methyl-6-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid?
The InChIKey is MBQJUGGJAMEUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O4S/c1-15-10-21(31-24(11-15)32-23-13-18(7-9-29-23)25-34-33-16(2)38-25)22-14-30-27(39-22)28(37)8-3-4-17-12-19(26(35)36)5-6-20(17)28/h5-7,9-14,37H,3-4,8H2,1-2H3,(H,35,36)(H,29,31,32).
What are the key properties of 5-hydroxy-5-[5-[4-methyl-6-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-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-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid has a molecular weight of 540.61 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-[5-[4-methyl-6-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 70977925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).