4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one

C27H19NO7 — CID 139215217

IUPAC4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one
SMILESCc1cc(O)c(-c2cc(-c3c(O)ccc4ccccc34)cc(-c3c(O)cc(C)oc3=O)n2)c(=O)o1
InChIInChI=1S/C27H19NO7/c1-13-9-21(30)24(26(32)34-13)18-11-16(23-17-6-4-3-5-15(17)7-8-20(23)29)12-19(28-18)25-22(31)10-14(2)35-27(25)33/h3-12,29-31H,1-2H3
InChIKeyYVLIQMYSRLRDTD-UHFFFAOYSA-N
MW469.45 g/mol
LogP4.88
Rot. Bonds3

About 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one

4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one (PubChem CID 139215217) has the molecular formula C27H19NO7 and a molecular weight of 469.45 g/mol. Its IUPAC name is 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one
PubChem CID139215217
Molecular FormulaC27H19NO7
Molecular Weight469.45 g/mol
Exact Mass469.12
IUPAC Name4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one
SMILESCc1cc(O)c(-c2cc(-c3c(O)ccc4ccccc34)cc(-c3c(O)cc(C)oc3=O)n2)c(=O)o1
InChIInChI=1S/C27H19NO7/c1-13-9-21(30)24(26(32)34-13)18-11-16(23-17-6-4-3-5-15(17)7-8-20(23)29)12-19(28-18)25-22(31)10-14(2)35-27(25)33/h3-12,29-31H,1-2H3
InChIKeyYVLIQMYSRLRDTD-UHFFFAOYSA-N
XLogP4.88
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol
CID 90766733
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol
CID 142599446
1-(4-aminophenyl)naphthalen-2-ol
CID 71327010
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
2-[4-(4-hydroxyphenyl)-6-(3-oxobenzo[f]chromen-2-yl)-2-pyridinyl]benzo[f]chromen-3-one
CID 155812709
4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one
CID 151649957
1-[3-(2-propan-2-yl-1,3-benzoxazol-6-yl)phenyl]naphthalen-2-ol
CID 174335339
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol
CID 156562288
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(4-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 135638739
1-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
CID 135465491

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one?
The IUPAC name of 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one (CID 139215217) is 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one is Cc1cc(O)c(-c2cc(-c3c(O)ccc4ccccc34)cc(-c3c(O)cc(C)oc3=O)n2)c(=O)o1.
What is the InChIKey of 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one?
The InChIKey is YVLIQMYSRLRDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO7/c1-13-9-21(30)24(26(32)34-13)18-11-16(23-17-6-4-3-5-15(17)7-8-20(23)29)12-19(28-18)25-22(31)10-14(2)35-27(25)33/h3-12,29-31H,1-2H3.
What are the key properties of 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one?
4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one has a molecular weight of 469.45 g/mol, XLogP of 4.88, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4-(2-hydroxynaphthalen-1-yl)-2-pyridinyl]-6-methylpyran-2-one is sourced from PubChem (CID 139215217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).