N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide

C64H37N23O5 — CID 123885262

IUPACN-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
SMILES[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(NC(=O)c3cc(/N=N/c4c(C#N)cnn4-c4ccccn4)c4ccccc4c3)cc(NC(=O)c3cc4ccccc4c(/N=N/c4c([N+]#[C-])cnn4-c4ncccn4)c3O)c2)cc2ccccc12
InChIInChI=1S/C64H37N23O5/c1-66-50-34-74-86(63-69-21-11-22-70-63)58(50)83-80-53-45-17-7-4-14-37(45)26-47(55(53)88)61(91)77-42-29-41(76-60(90)39-25-36-13-3-6-16-44(36)49(28-39)79-82-57-40(32-65)33-73-85(57)52-19-9-10-20-68-52)30-43(31-42)78-62(92)48-27-38-15-5-8-18-46(38)54(56(48)89)81-84-59-51(67-2)35-75-87(59)64-71-23-12-24-72-64/h3-31,33-35,88-89H,(H,76,90)(H,77,91)(H,78,92)/b82-79+,83-80+,84-81+
InChIKeyKPQYDEAHAXEHST-CTIRTQPLSA-N
MW1208.16 g/mol
LogP14.07
Rot. Bonds15

About N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide

N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide (PubChem CID 123885262) has the molecular formula C64H37N23O5 and a molecular weight of 1208.16 g/mol. Its IUPAC name is N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
PubChem CID123885262
Molecular FormulaC64H37N23O5
Molecular Weight1208.16 g/mol
Exact Mass1207.33
IUPAC NameN-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
SMILES[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(NC(=O)c3cc(/N=N/c4c(C#N)cnn4-c4ccccn4)c4ccccc4c3)cc(NC(=O)c3cc4ccccc4c(/N=N/c4c([N+]#[C-])cnn4-c4ncccn4)c3O)c2)cc2ccccc12
InChIInChI=1S/C64H37N23O5/c1-66-50-34-74-86(63-69-21-11-22-70-63)58(50)83-80-53-45-17-7-4-14-37(45)26-47(55(53)88)61(91)77-42-29-41(76-60(90)39-25-36-13-3-6-16-44(36)49(28-39)79-82-57-40(32-65)33-73-85(57)52-19-9-10-20-68-52)30-43(31-42)78-62(92)48-27-38-15-5-8-18-46(38)54(56(48)89)81-84-59-51(67-2)35-75-87(59)64-71-23-12-24-72-64/h3-31,33-35,88-89H,(H,76,90)(H,77,91)(H,78,92)/b82-79+,83-80+,84-81+
InChIKeyKPQYDEAHAXEHST-CTIRTQPLSA-N
XLogP14.07
TPSA352.34 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001208.16
LogP ≤ 514.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

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 N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
CID 136130012
4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2,6-difluorophenyl)-3-hydroxynaphthalene-2-carboxamide
CID 136133072
N-(2,6-difluorophenyl)-2-hydroxy-3-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-1-carboxamide
CID 136175346
4-[(4-cyano-2-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-hydroxy-N-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 136365198
3-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2,6-difluorophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 136418631
3-hydroxy-4-[(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 136439687
1,1a(2)-[[[5-[2-[3-[[(2-Ethylphenyl)amino]carbonyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]imino]bis(4,1-phenylene-2,1-diazenediyl)]bis[N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide]
CID 16177611
1-[[4-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[5-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-2-pyridinyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-2-hydroxy-11H-benzo[a]carbazole-3-carboxamide
CID 23397888
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(3-isocyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]naphthalene-2-carboxamide
CID 58301098
4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-phenyl-3-pyrimidin-2-yloxynaphthalene-2-carboxamide
CID 58301167
N-[3,5-bis[[2-hydroxy-3-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-1-carbonyl]amino]phenyl]-3-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxynaphthalene-1-carboxamide
CID 58330785
N-[3,5-bis[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 58527874

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide (CID 123885262) is N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide is [C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(NC(=O)c3cc(/N=N/c4c(C#N)cnn4-c4ccccn4)c4ccccc4c3)cc(NC(=O)c3cc4ccccc4c(/N=N/c4c([N+]#[C-])cnn4-c4ncccn4)c3O)c2)cc2ccccc12.
What is the InChIKey of N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide?
The InChIKey is KPQYDEAHAXEHST-CTIRTQPLSA-N. The full InChI is InChI=1S/C64H37N23O5/c1-66-50-34-74-86(63-69-21-11-22-70-63)58(50)83-80-53-45-17-7-4-14-37(45)26-47(55(53)88)61(91)77-42-29-41(76-60(90)39-25-36-13-3-6-16-44(36)49(28-39)79-82-57-40(32-65)33-73-85(57)52-19-9-10-20-68-52)30-43(31-42)78-62(92)48-27-38-15-5-8-18-46(38)54(56(48)89)81-84-59-51(67-2)35-75-87(59)64-71-23-12-24-72-64/h3-31,33-35,88-89H,(H,76,90)(H,77,91)(H,78,92)/b82-79+,83-80+,84-81+.
What are the key properties of N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide?
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide has a molecular weight of 1208.16 g/mol, XLogP of 14.07, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 123885262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).