[hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium

C24H24N3O3+ — CID 165416382

IUPAC[hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium
SMILESCc1cc(/[NH+]=C(\O)c2c(=O)[nH]n3ccccc23)c(C(C)C)cc1Oc1ccccc1
InChIInChI=1S/C24H23N3O3/c1-15(2)18-14-21(30-17-9-5-4-6-10-17)16(3)13-19(18)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29)/p+1
InChIKeyJABKJLQKEVJGOT-UHFFFAOYSA-O
MW402.47 g/mol
LogP3.57
Rot. Bonds5

About [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium

[hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium (PubChem CID 165416382) has the molecular formula C24H24N3O3+ and a molecular weight of 402.47 g/mol. Its IUPAC name is [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium.

Molecular Properties

Compound Name[hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium
PubChem CID165416382
Molecular FormulaC24H24N3O3+
Molecular Weight402.47 g/mol
Exact Mass402.18
IUPAC Name[hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium
SMILESCc1cc(/[NH+]=C(\O)c2c(=O)[nH]n3ccccc23)c(C(C)C)cc1Oc1ccccc1
InChIInChI=1S/C24H23N3O3/c1-15(2)18-14-21(30-17-9-5-4-6-10-17)16(3)13-19(18)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29)/p+1
InChIKeyJABKJLQKEVJGOT-UHFFFAOYSA-O
XLogP3.57
TPSA80.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

hDHODH-IN-11
CID 146269042
N-(2,5-dimethyl-4-phenoxyphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 145954937
N-(2-methyl-4-phenoxy-5-propan-2-ylphenyl)-2-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 163298989

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium?
The IUPAC name of [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium (CID 165416382) is [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium.
What is the SMILES notation for [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium?
The canonical SMILES for [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium is Cc1cc(/[NH+]=C(\O)c2c(=O)[nH]n3ccccc23)c(C(C)C)cc1Oc1ccccc1.
What is the InChIKey of [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium?
The InChIKey is JABKJLQKEVJGOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N3O3/c1-15(2)18-14-21(30-17-9-5-4-6-10-17)16(3)13-19(18)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29)/p+1.
What are the key properties of [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium?
[hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium has a molecular weight of 402.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(2-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)methylidene]-(5-methyl-4-phenoxy-2-propan-2-ylphenyl)azanium is sourced from PubChem (CID 165416382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).