methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate

C63H50N14O6 — CID 123221134

IUPACmethyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cc4ccc(-c5ccc(N6NC(C)C(C(=O)OC)=C6/N=N/c6c(O)c(C(=O)Nc7ccccc7)cc7ccccc67)nc5)cc4c(NN(C)c4c(C#N)cnn4-c4ccccn4)c3O)ccc21
InChIInChI=1S/C63H50N14O6/c1-5-75-50-20-12-11-19-45(50)47-32-43(25-26-51(47)75)69-61(81)49-31-39-23-22-37(29-46(39)56(58(49)79)73-74(3)62-41(33-64)35-67-77(62)52-21-13-14-28-65-52)40-24-27-53(66-34-40)76-59(54(36(2)72-76)63(82)83-4)71-70-55-44-18-10-9-15-38(44)30-48(57(55)78)60(80)68-42-16-7-6-8-17-42/h6-32,34-36,72-73,78-79H,5H2,1-4H3,(H,68,80)(H,69,81)/b71-70+
InChIKeyFUAGXUYUOWRMEO-ZCHAKFSJSA-N
MW1099.18 g/mol
LogP11.90
Rot. Bonds14

About methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate

methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate (PubChem CID 123221134) has the molecular formula C63H50N14O6 and a molecular weight of 1099.18 g/mol. Its IUPAC name is methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate
PubChem CID123221134
Molecular FormulaC63H50N14O6
Molecular Weight1099.18 g/mol
Exact Mass1098.40
IUPAC Namemethyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cc4ccc(-c5ccc(N6NC(C)C(C(=O)OC)=C6/N=N/c6c(O)c(C(=O)Nc7ccccc7)cc7ccccc67)nc5)cc4c(NN(C)c4c(C#N)cnn4-c4ccccn4)c3O)ccc21
InChIInChI=1S/C63H50N14O6/c1-5-75-50-20-12-11-19-45(50)47-32-43(25-26-51(47)75)69-61(81)49-31-39-23-22-37(29-46(39)56(58(49)79)73-74(3)62-41(33-64)35-67-77(62)52-21-13-14-28-65-52)40-24-27-53(66-34-40)76-59(54(36(2)72-76)63(82)83-4)71-70-55-44-18-10-9-15-38(44)30-48(57(55)78)60(80)68-42-16-7-6-8-17-42/h6-32,34-36,72-73,78-79H,5H2,1-4H3,(H,68,80)(H,69,81)/b71-70+
InChIKeyFUAGXUYUOWRMEO-ZCHAKFSJSA-N
XLogP11.90
TPSA252.54 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001099.18
LogP ≤ 511.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate with MolForge

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Related Compounds

4-[(4-carbamoyl-1-phenylpyrazol-5-yl)diazenyl]-3-hydroxy-7-N-(4-methylphenyl)-2-N-phenylnaphthalene-2,7-dicarboxamide;methyl 5-[[3,6-bis[(4-formamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-1-phenylpyrazole-4-carboxylate;methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 158558521
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
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
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
4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 68200477
4-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide
CID 68306448
4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 68641935
N-[3,5-bis[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 87197494
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 88848757
N-[3,5-bis[[3-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxynaphthalene-1-carbonyl]amino]phenyl]-3-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxynaphthalene-1-carboxamide
CID 88926715
4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 123219027
N-(3-acetylphenyl)-7-[5-[[4-[(4-cyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2-hydroxyphenyl]-4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carboxamide
CID 123364532

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate?
The IUPAC name of methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate (CID 123221134) is methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate.
What is the SMILES notation for methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate?
The canonical SMILES for methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate is CCn1c2ccccc2c2cc(NC(=O)c3cc4ccc(-c5ccc(N6NC(C)C(C(=O)OC)=C6/N=N/c6c(O)c(C(=O)Nc7ccccc7)cc7ccccc67)nc5)cc4c(NN(C)c4c(C#N)cnn4-c4ccccn4)c3O)ccc21.
What is the InChIKey of methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate?
The InChIKey is FUAGXUYUOWRMEO-ZCHAKFSJSA-N. The full InChI is InChI=1S/C63H50N14O6/c1-5-75-50-20-12-11-19-45(50)47-32-43(25-26-51(47)75)69-61(81)49-31-39-23-22-37(29-46(39)56(58(49)79)73-74(3)62-41(33-64)35-67-77(62)52-21-13-14-28-65-52)40-24-27-53(66-34-40)76-59(54(36(2)72-76)63(82)83-4)71-70-55-44-18-10-9-15-38(44)30-48(57(55)78)60(80)68-42-16-7-6-8-17-42/h6-32,34-36,72-73,78-79H,5H2,1-4H3,(H,68,80)(H,69,81)/b71-70+.
What are the key properties of methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate?
methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate has a molecular weight of 1099.18 g/mol, XLogP of 11.90, 14 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate is sourced from PubChem (CID 123221134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).