4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one

C18H20N4O3 — CID 59561396

IUPAC4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one
SMILESCC1=C(O)/C(=N/c2c(OCCN(C)C)nn3ccccc23)C=CC1=O
InChIInChI=1S/C18H20N4O3/c1-12-15(23)8-7-13(17(12)24)19-16-14-6-4-5-9-22(14)20-18(16)25-11-10-21(2)3/h4-9,24H,10-11H2,1-3H3/b19-13+
InChIKeyLWSNDLYCWBLXKC-CPNJWEJPSA-N
MW340.38 g/mol
LogP2.32
Rot. Bonds5

About 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one

4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one (PubChem CID 59561396) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one
PubChem CID59561396
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one
SMILESCC1=C(O)/C(=N/c2c(OCCN(C)C)nn3ccccc23)C=CC1=O
InChIInChI=1S/C18H20N4O3/c1-12-15(23)8-7-13(17(12)24)19-16-14-6-4-5-9-22(14)20-18(16)25-11-10-21(2)3/h4-9,24H,10-11H2,1-3H3/b19-13+
InChIKeyLWSNDLYCWBLXKC-CPNJWEJPSA-N
XLogP2.32
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one (CID 59561396) is 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one is CC1=C(O)/C(=N/c2c(OCCN(C)C)nn3ccccc23)C=CC1=O.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one?
The InChIKey is LWSNDLYCWBLXKC-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-15(23)8-7-13(17(12)24)19-16-14-6-4-5-9-22(14)20-18(16)25-11-10-21(2)3/h4-9,24H,10-11H2,1-3H3/b19-13+.
What are the key properties of 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one?
4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one has a molecular weight of 340.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 59561396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).