3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide

C106H72N34O10 — CID 158225606

IUPAC3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cc2ccccc2c(/N=N/c2c(-c3ccccn3)cnn2-c2ccccc2)c1O.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cccc(C)n2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cccnc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cccnc2C(N)=O)cc2ccccc12
InChIInChI=1S/C32H24N6O3.C25H16N10O3.C25H17N9O2.C24H15N9O2/c39-20-21-13-15-23(16-14-21)35-32(41)26-18-22-8-4-5-11-25(22)29(30(26)40)36-37-31-27(28-12-6-7-17-33-28)19-34-38(31)24-9-2-1-3-10-24;1-27-18-13-31-35(25-29-10-5-11-30-25)23(18)34-33-19-15-7-3-2-6-14(15)12-16(21(19)36)24(38)32-17-8-4-9-28-20(17)22(26)37;1-15-7-5-10-20(30-15)31-24(36)18-13-16-8-3-4-9-17(16)21(22(18)35)32-33-23-19(26-2)14-29-34(23)25-27-11-6-12-28-25;1-25-19-14-29-33(24-27-10-5-11-28-24)22(19)32-31-20-17-8-3-2-6-15(17)12-18(21(20)34)23(35)30-16-7-4-9-26-13-16/h1-19,39-40H,20H2,(H,35,41);2-13,36H,(H2,26,37)(H,32,38);3-14,35H,1H3,(H,30,31,36);2-14,34H,(H,30,35)/b37-36+;34-33+;33-32+;32-31+
InChIKeyGDTKKNFYWSSYMA-SQIYEJJNSA-N
MW1981.97 g/mol
LogP21.76
Rot. Bonds23

About 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide

3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide (PubChem CID 158225606) has the molecular formula C106H72N34O10 and a molecular weight of 1981.97 g/mol. Its IUPAC name is 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide
PubChem CID158225606
Molecular FormulaC106H72N34O10
Molecular Weight1981.97 g/mol
Exact Mass1980.62
IUPAC Name3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cc2ccccc2c(/N=N/c2c(-c3ccccn3)cnn2-c2ccccc2)c1O.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cccc(C)n2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cccnc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cccnc2C(N)=O)cc2ccccc12
InChIInChI=1S/C32H24N6O3.C25H16N10O3.C25H17N9O2.C24H15N9O2/c39-20-21-13-15-23(16-14-21)35-32(41)26-18-22-8-4-5-11-25(22)29(30(26)40)36-37-31-27(28-12-6-7-17-33-28)19-34-38(31)24-9-2-1-3-10-24;1-27-18-13-31-35(25-29-10-5-11-30-25)23(18)34-33-19-15-7-3-2-6-14(15)12-16(21(19)36)24(38)32-17-8-4-9-28-20(17)22(26)37;1-15-7-5-10-20(30-15)31-24(36)18-13-16-8-3-4-9-17(16)21(22(18)35)32-33-23-19(26-2)14-29-34(23)25-27-11-6-12-28-25;1-25-19-14-29-33(24-27-10-5-11-28-24)22(19)32-31-20-17-8-3-2-6-15(17)12-18(21(20)34)23(35)30-16-7-4-9-26-13-16/h1-19,39-40H,20H2,(H,35,41);2-13,36H,(H2,26,37)(H,32,38);3-14,35H,1H3,(H,30,31,36);2-14,34H,(H,30,35)/b37-36+;34-33+;33-32+;32-31+
InChIKeyGDTKKNFYWSSYMA-SQIYEJJNSA-N
XLogP21.76
TPSA572.78 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.97
LogP ≤ 521.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide (CID 158225606) is 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide is O=C(Nc1ccc(CO)cc1)c1cc2ccccc2c(/N=N/c2c(-c3ccccn3)cnn2-c2ccccc2)c1O.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cccc(C)n2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cccnc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cccnc2C(N)=O)cc2ccccc12.
What is the InChIKey of 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide?
The InChIKey is GDTKKNFYWSSYMA-SQIYEJJNSA-N. The full InChI is InChI=1S/C32H24N6O3.C25H16N10O3.C25H17N9O2.C24H15N9O2/c39-20-21-13-15-23(16-14-21)35-32(41)26-18-22-8-4-5-11-25(22)29(30(26)40)36-37-31-27(28-12-6-7-17-33-28)19-34-38(31)24-9-2-1-3-10-24;1-27-18-13-31-35(25-29-10-5-11-30-25)23(18)34-33-19-15-7-3-2-6-14(15)12-16(21(19)36)24(38)32-17-8-4-9-28-20(17)22(26)37;1-15-7-5-10-20(30-15)31-24(36)18-13-16-8-3-4-9-17(16)21(22(18)35)32-33-23-19(26-2)14-29-34(23)25-27-11-6-12-28-25;1-25-19-14-29-33(24-27-10-5-11-28-24)22(19)32-31-20-17-8-3-2-6-15(17)12-18(21(20)34)23(35)30-16-7-4-9-26-13-16/h1-19,39-40H,20H2,(H,35,41);2-13,36H,(H2,26,37)(H,32,38);3-14,35H,1H3,(H,30,31,36);2-14,34H,(H,30,35)/b37-36+;34-33+;33-32+;32-31+.
What are the key properties of 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide?
3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide has a molecular weight of 1981.97 g/mol, XLogP of 21.76, 23 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-phenyl-4-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide;3-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-pyridin-3-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 158225606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).