4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

C28H23N7O2 — CID 123219027

IUPAC4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCCc1cccnc1-n1ncc(C#N)c1NNc1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C28H23N7O2/c1-2-18-10-8-14-30-26(18)35-27(20(16-29)17-31-35)34-33-24-22-13-7-6-9-19(22)15-23(25(24)36)28(37)32-21-11-4-3-5-12-21/h3-15,17,33-34,36H,2H2,1H3,(H,32,37)
InChIKeyQQWHFBIVWUMNFY-UHFFFAOYSA-N
MW489.54 g/mol
LogP5.25
Rot. Bonds7

About 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 123219027) has the molecular formula C28H23N7O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID123219027
Molecular FormulaC28H23N7O2
Molecular Weight489.54 g/mol
Exact Mass489.19
IUPAC Name4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCCc1cccnc1-n1ncc(C#N)c1NNc1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C28H23N7O2/c1-2-18-10-8-14-30-26(18)35-27(20(16-29)17-31-35)34-33-24-22-13-7-6-9-19(22)15-23(25(24)36)28(37)32-21-11-4-3-5-12-21/h3-15,17,33-34,36H,2H2,1H3,(H,32,37)
InChIKeyQQWHFBIVWUMNFY-UHFFFAOYSA-N
XLogP5.25
TPSA127.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-{[6-(1H-pyrazol-1-yl)pyridine-3-yl]methyl}-2-naphthamide
CID 71281209
3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide
CID 75402519
1-[3-(6-Tert-butyl-1-oxophthalazin-2-yl)-2-hydroxy-4-methylphenyl]-3-[(5-fluoro-2-pyridinyl)amino]pyrazole-4-carboxamide
CID 121433728
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
Methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 136642039
N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxynaphthalene-2-carbohydrazide
CID 8489136
3-hydroxy-4-[2-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)hydrazinyl]-N-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 162564475

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 123219027) is 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is CCc1cccnc1-n1ncc(C#N)c1NNc1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.
What is the InChIKey of 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is QQWHFBIVWUMNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O2/c1-2-18-10-8-14-30-26(18)35-27(20(16-29)17-31-35)34-33-24-22-13-7-6-9-19(22)15-23(25(24)36)28(37)32-21-11-4-3-5-12-21/h3-15,17,33-34,36H,2H2,1H3,(H,32,37).
What are the key properties of 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 5.25, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-cyano-1-(3-ethyl-2-pyridinyl)pyrazol-5-yl]hydrazinyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 123219027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).