3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide

C23H16N10O2 — CID 143952339

IUPAC3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide
SMILESN#Cc1cnn(-c2ncccn2)c1NNc1cc2ccccc2c(C(=O)Nc2ncccn2)c1O
InChIInChI=1S/C23H16N10O2/c24-12-15-13-29-33(23-27-9-4-10-28-23)20(15)32-31-17-11-14-5-1-2-6-16(14)18(19(17)34)21(35)30-22-25-7-3-8-26-22/h1-11,13,31-32,34H,(H,25,26,30,35)
InChIKeyCYFBPHQANJPEHC-UHFFFAOYSA-N
MW464.45 g/mol
LogP2.87
Rot. Bonds6

About 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide

3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide (PubChem CID 143952339) has the molecular formula C23H16N10O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide
PubChem CID143952339
Molecular FormulaC23H16N10O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC Name3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide
SMILESN#Cc1cnn(-c2ncccn2)c1NNc1cc2ccccc2c(C(=O)Nc2ncccn2)c1O
InChIInChI=1S/C23H16N10O2/c24-12-15-13-29-33(23-27-9-4-10-28-23)20(15)32-31-17-11-14-5-1-2-6-16(14)18(19(17)34)21(35)30-22-25-7-3-8-26-22/h1-11,13,31-32,34H,(H,25,26,30,35)
InChIKeyCYFBPHQANJPEHC-UHFFFAOYSA-N
XLogP2.87
TPSA166.56 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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-[4-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carboxamide
CID 136994641
3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide
CID 143952314
3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108738030
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
CID 143927342
1-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-phenylurea
CID 17067816
N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide
CID 112723593
4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-phenyl-3-pyrimidin-2-yloxyanthracene-2-carboxamide
CID 163907161
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108760932
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide
CID 58120875

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide?
The IUPAC name of 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide (CID 143952339) is 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide.
What is the SMILES notation for 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide?
The canonical SMILES for 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide is N#Cc1cnn(-c2ncccn2)c1NNc1cc2ccccc2c(C(=O)Nc2ncccn2)c1O.
What is the InChIKey of 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide?
The InChIKey is CYFBPHQANJPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N10O2/c24-12-15-13-29-33(23-27-9-4-10-28-23)20(15)32-31-17-11-14-5-1-2-6-16(14)18(19(17)34)21(35)30-22-25-7-3-8-26-22/h1-11,13,31-32,34H,(H,25,26,30,35).
What are the key properties of 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide?
3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-2-hydroxy-N-pyrimidin-2-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 143952339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).