2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol

C18H17FN6O — CID 68523438

IUPAC2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESCc1cc(Nc2ccc3ncn(C(CO)c4ccc(F)cc4)c3n2)n[nH]1
InChIInChI=1S/C18H17FN6O/c1-11-8-17(24-23-11)21-16-7-6-14-18(22-16)25(10-20-14)15(9-26)12-2-4-13(19)5-3-12/h2-8,10,15,26H,9H2,1H3,(H2,21,22,23,24)
InChIKeyHGZFNOXZJGJAHB-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.93
Rot. Bonds5

About 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol

2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol (PubChem CID 68523438) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol
PubChem CID68523438
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESCc1cc(Nc2ccc3ncn(C(CO)c4ccc(F)cc4)c3n2)n[nH]1
InChIInChI=1S/C18H17FN6O/c1-11-8-17(24-23-11)21-16-7-6-14-18(22-16)25(10-20-14)15(9-26)12-2-4-13(19)5-3-12/h2-8,10,15,26H,9H2,1H3,(H2,21,22,23,24)
InChIKeyHGZFNOXZJGJAHB-UHFFFAOYSA-N
XLogP2.93
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol (CID 68523438) is 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol is Cc1cc(Nc2ccc3ncn(C(CO)c4ccc(F)cc4)c3n2)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol?
The InChIKey is HGZFNOXZJGJAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-11-8-17(24-23-11)21-16-7-6-14-18(22-16)25(10-20-14)15(9-26)12-2-4-13(19)5-3-12/h2-8,10,15,26H,9H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol?
2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol has a molecular weight of 352.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol is sourced from PubChem (CID 68523438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).