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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide

C141H101N47O15 — CID 158712613

About 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide

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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide (PubChem CID 158712613) has the molecular formula C141H101N47O15 and a molecular weight of 2693.67 g/mol. Its IUPAC name is 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide
• PubChem CID: 158712613
• Molecular Formula: C141H101N47O15
• Molecular Weight: 2693.67 g/mol
• Exact Mass: 2691.86
• IUPAC Name: 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide
• SMILES: Cc1nc(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)n(-c2ncccn2)n1.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)NCCC)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(NC(=O)c3cc4ccccc4c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3O)cc(NC(=O)c3cc4ccccc4c(/N=N/c4c([N+]#[C-])cnn4-c4ncccn4)c3O)c2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccc(OCCCCCO)cc2)cc2ccccc12
• InChI: InChI=1S/C64H37N23O6.C30H26N8O4.C25H20N8O3.C22H18N8O2/c1-66-48-33-74-86(63-69-21-11-22-70-63)58(48)83-80-52-43-17-7-4-14-36(43)26-46(55(52)89)61(92)77-40-28-39(76-60(91)45-25-35-13-3-6-16-42(35)51(54(45)88)79-82-57-38(31-65)32-73-85(57)50-19-9-10-20-68-50)29-41(30-40)78-62(93)47-27-37-15-5-8-18-44(37)53(56(47)90)81-84-59-49(67-2)34-75-87(59)64-71-23-12-24-72-64;1-31-25-19-34-38(30-32-14-7-15-33-30)28(25)37-36-26-23-9-4-3-8-20(23)18-24(27(26)40)29(41)35-21-10-12-22(13-11-21)42-17-6-2-5-16-39;1-15-28-25(33(32-15)24-26-11-4-12-27-24)31-30-21-19-6-3-2-5-17(19)13-20(22(21)35)23(36)29-18-9-7-16(14-34)8-10-18;1-3-9-24-21(32)16-12-14-7-4-5-8-15(14)18(19(16)31)28-29-20-17(23-2)13-27-30(20)22-25-10-6-11-26-22/h3-30,32-34,88-90H,(H,76,91)(H,77,92)(H,78,93);3-4,7-15,18-19,39-40H,2,5-6,16-17H2,(H,35,41);2-13,34-35H,14H2,1H3,(H,29,36);4-8,10-13,31H,3,9H2,1H3,(H,24,32)/b82-79+,83-80+,84-81+;37-36+;31-30+;29-28+
• InChIKey: IIXLOMQPHRAPHM-XVTUMNJKSA-N
• XLogP: 29.06
• TPSA: 796.82 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 52
• Rotatable Bonds: 38
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2693.67
LogP ≤ 5	29.06
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide?

The IUPAC name of 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide (CID 158712613) is 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide.

What is the SMILES notation for 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide?

The canonical SMILES for 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide is Cc1nc(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)n(-c2ncccn2)n1.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)NCCC)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(NC(=O)c3cc4ccccc4c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3O)cc(NC(=O)c3cc4ccccc4c(/N=N/c4c([N+]#[C-])cnn4-c4ncccn4)c3O)c2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccc(OCCCCCO)cc2)cc2ccccc12.

What is the InChIKey of 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide?

The InChIKey is IIXLOMQPHRAPHM-XVTUMNJKSA-N. The full InChI is InChI=1S/C64H37N23O6.C30H26N8O4.C25H20N8O3.C22H18N8O2/c1-66-48-33-74-86(63-69-21-11-22-70-63)58(48)83-80-52-43-17-7-4-14-36(43)26-46(55(52)89)61(92)77-40-28-39(76-60(91)45-25-35-13-3-6-16-42(35)51(54(45)88)79-82-57-38(31-65)32-73-85(57)50-19-9-10-20-68-50)29-41(30-40)78-62(93)47-27-37-15-5-8-18-44(37)53(56(47)90)81-84-59-49(67-2)34-75-87(59)64-71-23-12-24-72-64;1-31-25-19-34-38(30-32-14-7-15-33-30)28(25)37-36-26-23-9-4-3-8-20(23)18-24(27(26)40)29(41)35-21-10-12-22(13-11-21)42-17-6-2-5-16-39;1-15-28-25(33(32-15)24-26-11-4-12-27-24)31-30-21-19-6-3-2-5-17(19)13-20(22(21)35)23(36)29-18-9-7-16(14-34)8-10-18;1-3-9-24-21(32)16-12-14-7-4-5-8-15(14)18(19(16)31)28-29-20-17(23-2)13-27-30(20)22-25-10-6-11-26-22/h3-30,32-34,88-90H,(H,76,91)(H,77,92)(H,78,93);3-4,7-15,18-19,39-40H,2,5-6,16-17H2,(H,35,41);2-13,34-35H,14H2,1H3,(H,29,36);4-8,10-13,31H,3,9H2,1H3,(H,24,32)/b82-79+,83-80+,84-81+;37-36+;31-30+;29-28+.

What are the key properties of 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide?

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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide has a molecular weight of 2693.67 g/mol, XLogP of 29.06, 38 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 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;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide is sourced from PubChem (CID 158712613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).