2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol

C22H25F2N7O2 — CID 164920337

IUPAC2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(F)cnn2c1
InChIInChI=1S/C22H25F2N7O2/c1-13(29-16-4-6-26-7-5-16)21(30-25)14-8-19(22-17(24)10-28-31(22)11-14)33-20(12-32)18-3-2-15(23)9-27-18/h2-3,8-11,16,20,26,32H,4-7,12,25H2,1H3/b29-13+,30-21+
InChIKeyHSLARSQGDQSXGD-NXLOZJSGSA-N
MW457.49 g/mol
LogP2.00
Rot. Bonds7

About 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol

2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 164920337) has the molecular formula C22H25F2N7O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
PubChem CID164920337
Molecular FormulaC22H25F2N7O2
Molecular Weight457.49 g/mol
Exact Mass457.20
IUPAC Name2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(F)cnn2c1
InChIInChI=1S/C22H25F2N7O2/c1-13(29-16-4-6-26-7-5-16)21(30-25)14-8-19(22-17(24)10-28-31(22)11-14)33-20(12-32)18-3-2-15(23)9-27-18/h2-3,8-11,16,20,26,32H,4-7,12,25H2,1H3/b29-13+,30-21+
InChIKeyHSLARSQGDQSXGD-NXLOZJSGSA-N
XLogP2.00
TPSA122.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731988
5-{5-[(2S)-2-amino-3-(2,4-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731989
5-{5-[(2S)-2-amino-3-(2,4,6-trifluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731990
5-{5-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732279
5-{5-[(2S)-2-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732414
5-{5-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732881
5-{5-[(2S)-2-amino-3-(2,6-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732883
5-{5-[(2S)-2-amino-3-(2,3,4-trifluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733156
5-{5-[(2S)-2-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733399
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol (CID 164920337) is 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol is CC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(F)cnn2c1.
What is the InChIKey of 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is HSLARSQGDQSXGD-NXLOZJSGSA-N. The full InChI is InChI=1S/C22H25F2N7O2/c1-13(29-16-4-6-26-7-5-16)21(30-25)14-8-19(22-17(24)10-28-31(22)11-14)33-20(12-32)18-3-2-15(23)9-27-18/h2-3,8-11,16,20,26,32H,4-7,12,25H2,1H3/b29-13+,30-21+.
What are the key properties of 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol?
2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 457.49 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 164920337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).