N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide

C25H24N8O4S — CID 137128800

IUPACN-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
SMILESCCC=CC=C(C)NC(=O)c1cc2ccccc2c(/N=N/c2c(S(N)(=O)=O)cnn2-c2ncccn2)c1O
InChIInChI=1S/C25H24N8O4S/c1-3-4-5-9-16(2)30-24(35)19-14-17-10-6-7-11-18(17)21(22(19)34)31-32-23-20(38(26,36)37)15-29-33(23)25-27-12-8-13-28-25/h4-15,34H,3H2,1-2H3,(H,30,35)(H2,26,36,37)/b5-4?,16-9?,32-31+
InChIKeyDIMBLCASBIQHGA-VPKGUWDXSA-N
MW532.59 g/mol
LogP4.18
Rot. Bonds8

About N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide

N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide (PubChem CID 137128800) has the molecular formula C25H24N8O4S and a molecular weight of 532.59 g/mol. Its IUPAC name is N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
PubChem CID137128800
Molecular FormulaC25H24N8O4S
Molecular Weight532.59 g/mol
Exact Mass532.16
IUPAC NameN-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
SMILESCCC=CC=C(C)NC(=O)c1cc2ccccc2c(/N=N/c2c(S(N)(=O)=O)cnn2-c2ncccn2)c1O
InChIInChI=1S/C25H24N8O4S/c1-3-4-5-9-16(2)30-24(35)19-14-17-10-6-7-11-18(17)21(22(19)34)31-32-23-20(38(26,36)37)15-29-33(23)25-27-12-8-13-28-25/h4-15,34H,3H2,1-2H3,(H,30,35)(H2,26,36,37)/b5-4?,16-9?,32-31+
InChIKeyDIMBLCASBIQHGA-VPKGUWDXSA-N
XLogP4.18
TPSA177.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.59
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide?
The IUPAC name of N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide (CID 137128800) is N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide is CCC=CC=C(C)NC(=O)c1cc2ccccc2c(/N=N/c2c(S(N)(=O)=O)cnn2-c2ncccn2)c1O.
What is the InChIKey of N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide?
The InChIKey is DIMBLCASBIQHGA-VPKGUWDXSA-N. The full InChI is InChI=1S/C25H24N8O4S/c1-3-4-5-9-16(2)30-24(35)19-14-17-10-6-7-11-18(17)21(22(19)34)31-32-23-20(38(26,36)37)15-29-33(23)25-27-12-8-13-28-25/h4-15,34H,3H2,1-2H3,(H,30,35)(H2,26,36,37)/b5-4?,16-9?,32-31+.
What are the key properties of N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide?
N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide has a molecular weight of 532.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 137128800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).