(Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol

C21H21FN6O2S — CID 143965593

IUPAC(Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol
SMILESCCC(N/C(=C\O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cn(S(C)=O)cn1
InChIInChI=1S/C21H21FN6O2S/c1-3-18(19-11-27(13-24-19)31(2)30)26-20(12-29)16-8-23-10-21-17(16)9-25-28(21)15-6-4-14(22)5-7-15/h4-13,18,26,29H,3H2,1-2H3/b20-12-
InChIKeyGUUAHEVORDVJNR-NDENLUEZSA-N
MW440.50 g/mol
LogP3.49
Rot. Bonds7

About (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol

(Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol (PubChem CID 143965593) has the molecular formula C21H21FN6O2S and a molecular weight of 440.50 g/mol. Its IUPAC name is (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol.

Molecular Properties

Compound Name(Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol
PubChem CID143965593
Molecular FormulaC21H21FN6O2S
Molecular Weight440.50 g/mol
Exact Mass440.14
IUPAC Name(Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol
SMILESCCC(N/C(=C\O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cn(S(C)=O)cn1
InChIInChI=1S/C21H21FN6O2S/c1-3-18(19-11-27(13-24-19)31(2)30)26-20(12-29)16-8-23-10-21-17(16)9-25-28(21)15-6-4-14(22)5-7-15/h4-13,18,26,29H,3H2,1-2H3/b20-12-
InChIKeyGUUAHEVORDVJNR-NDENLUEZSA-N
XLogP3.49
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 45136967
N-[(1S)-1-(2-chloro-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136963
1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-2-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278500
ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965573
2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66727140
sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate
CID 157367299
2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 45137859
N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136965
1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278393
N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278424
1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45102641
1-(4-fluorophenyl)-N-[(1S)-1-(3-methoxy-4-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278162

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol?
The IUPAC name of (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol (CID 143965593) is (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol.
What is the SMILES notation for (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol?
The canonical SMILES for (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol is CCC(N/C(=C\O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cn(S(C)=O)cn1.
What is the InChIKey of (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol?
The InChIKey is GUUAHEVORDVJNR-NDENLUEZSA-N. The full InChI is InChI=1S/C21H21FN6O2S/c1-3-18(19-11-27(13-24-19)31(2)30)26-20(12-29)16-8-23-10-21-17(16)9-25-28(21)15-6-4-14(22)5-7-15/h4-13,18,26,29H,3H2,1-2H3/b20-12-.
What are the key properties of (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol?
(Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol has a molecular weight of 440.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]-2-[1-(1-methylsulfinylimidazol-4-yl)propylamino]ethenol is sourced from PubChem (CID 143965593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).