4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid

C18H24N4O4 — CID 171339502

IUPAC4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid
SMILESCCn1ncc2c1NC(=O)CC2c1ccc(O)c(CN(C)C)c1.O=CO
InChIInChI=1S/C17H22N4O2.CH2O2/c1-4-21-17-14(9-18-21)13(8-16(23)19-17)11-5-6-15(22)12(7-11)10-20(2)3;2-1-3/h5-7,9,13,22H,4,8,10H2,1-3H3,(H,19,23);1H,(H,2,3)
InChIKeyFEWOIZCHIZMPKW-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.85
Rot. Bonds4

About 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid

4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid (PubChem CID 171339502) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid.

Molecular Properties

Compound Name4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid
PubChem CID171339502
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid
SMILESCCn1ncc2c1NC(=O)CC2c1ccc(O)c(CN(C)C)c1.O=CO
InChIInChI=1S/C17H22N4O2.CH2O2/c1-4-21-17-14(9-18-21)13(8-16(23)19-17)11-5-6-15(22)12(7-11)10-20(2)3;2-1-3/h5-7,9,13,22H,4,8,10H2,1-3H3,(H,19,23);1H,(H,2,3)
InChIKeyFEWOIZCHIZMPKW-UHFFFAOYSA-N
XLogP1.85
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[3-(2-hydroxyethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169420538
4-(3-chloro-4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632846
9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169413087
(4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713796
(4R)-4-(3-chloro-4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899758
methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136820562
1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135783975
4-(3-hydroxy-4-methoxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632417
4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632796
(4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820698
1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655913
4-[1-[(4-chlorophenyl)methyl]-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135632410

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid?
The IUPAC name of 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid (CID 171339502) is 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid.
What is the SMILES notation for 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid?
The canonical SMILES for 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid is CCn1ncc2c1NC(=O)CC2c1ccc(O)c(CN(C)C)c1.O=CO.
What is the InChIKey of 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid?
The InChIKey is FEWOIZCHIZMPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.CH2O2/c1-4-21-17-14(9-18-21)13(8-16(23)19-17)11-5-6-15(22)12(7-11)10-20(2)3;2-1-3/h5-7,9,13,22H,4,8,10H2,1-3H3,(H,19,23);1H,(H,2,3).
What are the key properties of 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid?
4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid has a molecular weight of 360.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid is sourced from PubChem (CID 171339502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).