N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide

C23H23N7O — CID 140797509

IUPACN'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1
InChIInChI=1S/C23H23N7O/c24-22(28-31)18-3-1-17(2-4-18)21-14-27-30-15-19(13-26-23(21)30)16-5-7-20(8-6-16)29-11-9-25-10-12-29/h1-8,13-15,25,31H,9-12H2,(H2,24,28)
InChIKeyUNZRSHNYMKCNJH-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.57
Rot. Bonds4

About N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide

N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide (PubChem CID 140797509) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide
PubChem CID140797509
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1
InChIInChI=1S/C23H23N7O/c24-22(28-31)18-3-1-17(2-4-18)21-14-27-30-15-19(13-26-23(21)30)16-5-7-20(8-6-16)29-11-9-25-10-12-29/h1-8,13-15,25,31H,9-12H2,(H2,24,28)
InChIKeyUNZRSHNYMKCNJH-UHFFFAOYSA-N
XLogP2.57
TPSA104.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845
3-(3,4-dimethoxy-5-methylphenyl)-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 130188353
dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium
CID 163291590
N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 118664711
N-methyl-1-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethenamine
CID 167566973
7-ethyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 167584329
N-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]sulfanylmethanamine
CID 167058498
ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine
CID 144728106
4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine
CID 163296473
N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide
CID 158576099
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-7-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one
CID 166500893
5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 159256004

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide (CID 140797509) is N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide is N/C(=N/O)c1ccc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1.
What is the InChIKey of N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide?
The InChIKey is UNZRSHNYMKCNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c24-22(28-31)18-3-1-17(2-4-18)21-14-27-30-15-19(13-26-23(21)30)16-5-7-20(8-6-16)29-11-9-25-10-12-29/h1-8,13-15,25,31H,9-12H2,(H2,24,28).
What are the key properties of N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide?
N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide has a molecular weight of 413.49 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]benzenecarboximidamide is sourced from PubChem (CID 140797509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).