2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol

C17H17FN6O3 — CID 69150495

IUPAC2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol
SMILESCc1cc(Nc2nc(NC(CO)c3ccc(F)cc3)ccc2[N+](=O)[O-])n[nH]1
InChIInChI=1S/C17H17FN6O3/c1-10-8-16(23-22-10)21-17-14(24(26)27)6-7-15(20-17)19-13(9-25)11-2-4-12(18)5-3-11/h2-8,13,25H,9H2,1H3,(H3,19,20,21,22,23)
InChIKeyGVKCAVCOSPDMDP-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.05
Rot. Bonds7

About 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol

2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol (PubChem CID 69150495) has the molecular formula C17H17FN6O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol
PubChem CID69150495
Molecular FormulaC17H17FN6O3
Molecular Weight372.36 g/mol
Exact Mass372.13
IUPAC Name2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol
SMILESCc1cc(Nc2nc(NC(CO)c3ccc(F)cc3)ccc2[N+](=O)[O-])n[nH]1
InChIInChI=1S/C17H17FN6O3/c1-10-8-16(23-22-10)21-17-14(24(26)27)6-7-15(20-17)19-13(9-25)11-2-4-12(18)5-3-11/h2-8,13,25H,9H2,1H3,(H3,19,20,21,22,23)
InChIKeyGVKCAVCOSPDMDP-UHFFFAOYSA-N
XLogP3.05
TPSA129.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol with MolForge

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-2-yl]amino]ethanol
CID 69150463
2-[[6-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloro-3-nitro-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 77295150
(2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 67455180
(2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol
CID 68736639
2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 84588442
(2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 86630702
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 91611148
2-N-(5-fluoro-2-methylphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80762064
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol
CID 58494447
2-(4-fluoroanilino)-2-(4-nitrophenyl)ethanol
CID 75238031
(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 67456086

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol (CID 69150495) is 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol is Cc1cc(Nc2nc(NC(CO)c3ccc(F)cc3)ccc2[N+](=O)[O-])n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol?
The InChIKey is GVKCAVCOSPDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O3/c1-10-8-16(23-22-10)21-17-14(24(26)27)6-7-15(20-17)19-13(9-25)11-2-4-12(18)5-3-11/h2-8,13,25H,9H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol?
2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol has a molecular weight of 372.36 g/mol, XLogP of 3.05, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 69150495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).