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

C18H17FN6O — CID 69150300

IUPAC(2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol
SMILESCc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cc4)nc32)n[nH]1
InChIInChI=1S/C18H17FN6O/c1-11-8-17(24-23-11)25-10-20-14-6-7-16(22-18(14)25)21-15(9-26)12-2-4-13(19)5-3-12/h2-8,10,15,26H,9H2,1H3,(H,21,22)(H,23,24)/t15-/m0/s1
InChIKeyHZIDOWRXMWPYBQ-HNNXBMFYSA-N
MW352.37 g/mol
LogP2.74
Rot. Bonds5

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

(2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol (PubChem CID 69150300) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol
PubChem CID69150300
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol
SMILESCc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cc4)nc32)n[nH]1
InChIInChI=1S/C18H17FN6O/c1-11-8-17(24-23-11)25-10-20-14-6-7-16(22-18(14)25)21-15(9-26)12-2-4-13(19)5-3-12/h2-8,10,15,26H,9H2,1H3,(H,21,22)(H,23,24)/t15-/m0/s1
InChIKeyHZIDOWRXMWPYBQ-HNNXBMFYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol (CID 69150300) is (2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol is Cc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cc4)nc32)n[nH]1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol?
The InChIKey is HZIDOWRXMWPYBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-11-8-17(24-23-11)25-10-20-14-6-7-16(22-18(14)25)21-15(9-26)12-2-4-13(19)5-3-12/h2-8,10,15,26H,9H2,1H3,(H,21,22)(H,23,24)/t15-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol?
(2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol has a molecular weight of 352.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[[3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol is sourced from PubChem (CID 69150300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).