4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

C105H76N30O10 — CID 158761500

IUPAC4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=Cc1cnn(-c2ccccc2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.[C-]#[N+]c1c(C(C)(C)C)nn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(O)c(C(N)=O)cc2cc(NC(N)=O)ccc12.[C-]#[N+]c1cnn(-c2nc3ccccc3[nH]2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C29H24N8O2.C28H18N8O2.C27H19N5O3.C21H15N9O3/c1-29(2,3)25-23(30-4)26(37(36-25)28-31-15-10-16-32-28)35-34-22-20-14-9-8-11-18(20)17-21(24(22)38)27(39)33-19-12-6-5-7-13-19;1-29-23-16-30-36(28-32-21-13-7-8-14-22(21)33-28)26(23)35-34-24-19-12-6-5-9-17(19)15-20(25(24)37)27(38)31-18-10-3-2-4-11-18;33-17-19-16-28-32(21-12-5-2-6-13-21)26(19)31-30-24-22-14-8-7-9-18(22)15-23(25(24)34)27(35)29-20-10-3-1-4-11-20;1-24-15-10-26-30(16-4-2-3-7-25-16)20(15)29-28-17-13-6-5-12(27-21(23)33)8-11(13)9-14(18(17)31)19(22)32/h5-17,38H,1-3H3,(H,33,39);2-16,37H,(H,31,38)(H,32,33);1-17,34H,(H,29,35);2-10,31H,(H2,22,32)(H3,23,27,33)/b2*35-34+;31-30+;29-28+
InChIKeyIOSQSUNGUVBBBJ-VUAMHQOISA-N
MW1917.96 g/mol
LogP23.76
Rot. Bonds21

About 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 158761500) has the molecular formula C105H76N30O10 and a molecular weight of 1917.96 g/mol. Its IUPAC name is 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID158761500
Molecular FormulaC105H76N30O10
Molecular Weight1917.96 g/mol
Exact Mass1916.64
IUPAC Name4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=Cc1cnn(-c2ccccc2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.[C-]#[N+]c1c(C(C)(C)C)nn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(O)c(C(N)=O)cc2cc(NC(N)=O)ccc12.[C-]#[N+]c1cnn(-c2nc3ccccc3[nH]2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C29H24N8O2.C28H18N8O2.C27H19N5O3.C21H15N9O3/c1-29(2,3)25-23(30-4)26(37(36-25)28-31-15-10-16-32-28)35-34-22-20-14-9-8-11-18(20)17-21(24(22)38)27(39)33-19-12-6-5-7-13-19;1-29-23-16-30-36(28-32-21-13-7-8-14-22(21)33-28)26(23)35-34-24-19-12-6-5-9-17(19)15-20(25(24)37)27(38)31-18-10-3-2-4-11-18;33-17-19-16-28-32(21-12-5-2-6-13-21)26(19)31-30-24-22-14-8-7-9-18(22)15-23(25(24)34)27(35)29-20-10-3-1-4-11-20;1-24-15-10-26-30(16-4-2-3-7-25-16)20(15)29-28-17-13-6-5-12(27-21(23)33)8-11(13)9-14(18(17)31)19(22)32/h5-17,38H,1-3H3,(H,33,39);2-16,37H,(H,31,38)(H,32,33);1-17,34H,(H,29,35);2-10,31H,(H2,22,32)(H3,23,27,33)/b2*35-34+;31-30+;29-28+
InChIKeyIOSQSUNGUVBBBJ-VUAMHQOISA-N
XLogP23.76
TPSA534.09 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001917.96
LogP ≤ 523.76
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 158761500) is 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is O=Cc1cnn(-c2ccccc2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.[C-]#[N+]c1c(C(C)(C)C)nn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(O)c(C(N)=O)cc2cc(NC(N)=O)ccc12.[C-]#[N+]c1cnn(-c2nc3ccccc3[nH]2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.
What is the InChIKey of 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is IOSQSUNGUVBBBJ-VUAMHQOISA-N. The full InChI is InChI=1S/C29H24N8O2.C28H18N8O2.C27H19N5O3.C21H15N9O3/c1-29(2,3)25-23(30-4)26(37(36-25)28-31-15-10-16-32-28)35-34-22-20-14-9-8-11-18(20)17-21(24(22)38)27(39)33-19-12-6-5-7-13-19;1-29-23-16-30-36(28-32-21-13-7-8-14-22(21)33-28)26(23)35-34-24-19-12-6-5-9-17(19)15-20(25(24)37)27(38)31-18-10-3-2-4-11-18;33-17-19-16-28-32(21-12-5-2-6-13-21)26(19)31-30-24-22-14-8-7-9-18(22)15-23(25(24)34)27(35)29-20-10-3-1-4-11-20;1-24-15-10-26-30(16-4-2-3-7-25-16)20(15)29-28-17-13-6-5-12(27-21(23)33)8-11(13)9-14(18(17)31)19(22)32/h5-17,38H,1-3H3,(H,33,39);2-16,37H,(H,31,38)(H,32,33);1-17,34H,(H,29,35);2-10,31H,(H2,22,32)(H3,23,27,33)/b2*35-34+;31-30+;29-28+.
What are the key properties of 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 1917.96 g/mol, XLogP of 23.76, 21 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;4-[(3-tert-butyl-4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;7-(carbamoylamino)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;4-[(4-formyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 158761500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).