2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide

C31H25N5O2 — CID 59473048

IUPAC2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide
SMILESCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)Cc5ccc(O)cc5)cc4)nc3ccn12
InChIInChI=1S/C31H25N5O2/c1-20-34-35-31-27-18-26(23-5-3-2-4-6-23)30(33-28(27)15-16-36(20)31)24-11-7-22(8-12-24)19-32-29(38)17-21-9-13-25(37)14-10-21/h2-16,18,37H,17,19H2,1H3,(H,32,38)
InChIKeyAYZHTIQTQFYUKS-UHFFFAOYSA-N
MW499.57 g/mol
LogP5.48
Rot. Bonds6

About 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide

2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide (PubChem CID 59473048) has the molecular formula C31H25N5O2 and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide
PubChem CID59473048
Molecular FormulaC31H25N5O2
Molecular Weight499.57 g/mol
Exact Mass499.20
IUPAC Name2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide
SMILESCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)Cc5ccc(O)cc5)cc4)nc3ccn12
InChIInChI=1S/C31H25N5O2/c1-20-34-35-31-27-18-26(23-5-3-2-4-6-23)30(33-28(27)15-16-36(20)31)24-11-7-22(8-12-24)19-32-29(38)17-21-9-13-25(37)14-10-21/h2-16,18,37H,17,19H2,1H3,(H,32,38)
InChIKeyAYZHTIQTQFYUKS-UHFFFAOYSA-N
XLogP5.48
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methylamino]-4-oxobutanoic acid
CID 89454429
N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]quinoline-3-carboxamide
CID 59473013
2-(2,3-dihydroxyphenyl)-2-methyl-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]propanamide
CID 89454732
[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 59473066
[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980361
8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 141180044
[4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 59472900
N-benzyl-2-(3-methyl-2-phenylquinolin-4-yl)acetamide
CID 139934118
[4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 67347311
[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 59472965
N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide
CID 59473022
[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980490

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide (CID 59473048) is 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide is Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)Cc5ccc(O)cc5)cc4)nc3ccn12.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide?
The InChIKey is AYZHTIQTQFYUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O2/c1-20-34-35-31-27-18-26(23-5-3-2-4-6-23)30(33-28(27)15-16-36(20)31)24-11-7-22(8-12-24)19-32-29(38)17-21-9-13-25(37)14-10-21/h2-16,18,37H,17,19H2,1H3,(H,32,38).
What are the key properties of 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide?
2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide has a molecular weight of 499.57 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[[4-(3-methyl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 59473048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).