2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol

C21H24ClFN7O2+ — CID 164920468

IUPAC2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(=N\C1CC(N)C1)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(Cl)c[nH][n+]2c1
InChIInChI=1S/C21H23ClFN7O2/c1-11(28-15-5-14(24)6-15)20(29-25)12-4-18(21-16(22)8-27-30(21)9-12)32-19(10-31)17-3-2-13(23)7-26-17/h2-4,7-9,14-15,19,31H,5-6,10,24H2,1H3,(H2,25,28)/p+1
InChIKeyWQHCFTMLZHILAA-UHFFFAOYSA-O
MW460.92 g/mol
LogP1.67
Rot. Bonds7

About 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol

2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 164920468) has the molecular formula C21H24ClFN7O2+ and a molecular weight of 460.92 g/mol. Its IUPAC name is 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol
PubChem CID164920468
Molecular FormulaC21H24ClFN7O2+
Molecular Weight460.92 g/mol
Exact Mass460.17
IUPAC Name2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(=N\C1CC(N)C1)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(Cl)c[nH][n+]2c1
InChIInChI=1S/C21H23ClFN7O2/c1-11(28-15-5-14(24)6-15)20(29-25)12-4-18(21-16(22)8-27-30(21)9-12)32-19(10-31)17-3-2-13(23)7-26-17/h2-4,7-9,14-15,19,31H,5-6,10,24H2,1H3,(H2,25,28)/p+1
InChIKeyWQHCFTMLZHILAA-UHFFFAOYSA-O
XLogP1.67
TPSA139.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ly-2874455
CID 46944259
5-{5-[(2S)-2-amino-3-(2-chlorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 10475646
5-{5-[(2S)-2-amino-3-(3-chlorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731991
5-{5-[(2S)-2-amino-3-(4-chloro-3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732132
5-{5-[(2S)-2-amino-3-(4-chlorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733021
5-{5-[(2S)-2-amino-3-(3-chloro-4-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733284
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-chloro-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16732276
3-[(2S)-2-amino-3-phenylpropoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647436
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-chloro-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647438
(E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-YL)ethoxy)-1H-indazol-3-YL)vinyl)-1H-pyrazol-1-YL)ethanol
CID 66646528

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol (CID 164920468) is 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol is CC(=N\C1CC(N)C1)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(Cl)c[nH][n+]2c1.
What is the InChIKey of 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is WQHCFTMLZHILAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23ClFN7O2/c1-11(28-15-5-14(24)6-15)20(29-25)12-4-18(21-16(22)8-27-30(21)9-12)32-19(10-31)17-3-2-13(23)7-26-17/h2-4,7-9,14-15,19,31H,5-6,10,24H2,1H3,(H2,25,28)/p+1.
What are the key properties of 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol?
2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 460.92 g/mol, XLogP of 1.67, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-(3-aminocyclobutyl)iminopropanehydrazonoyl]-3-chloro-1H-pyrazolo[1,5-a]pyridin-8-ium-4-yl]oxy]-2-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 164920468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).