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

C18H17FN6O — CID 68523428

IUPAC(2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESCc1cc(Nc2ccc3ncn([C@@H](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)/t15-/m0/s1
InChIKeyHGZFNOXZJGJAHB-HNNXBMFYSA-N
MW352.37 g/mol
LogP2.93
Rot. Bonds5

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

(2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol (PubChem CID 68523428) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol
PubChem CID68523428
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESCc1cc(Nc2ccc3ncn([C@@H](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)/t15-/m0/s1
InChIKeyHGZFNOXZJGJAHB-HNNXBMFYSA-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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Related Compounds

CID 86765994
CID 86765994
CID 25094630
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CID 86766000
CID 86766000
CID 138105936
CID 138105936
CID 51000420
CID 51000420
CID 86765993
CID 86765993
CID 44533020
CID 44533020
CID 22390536
CID 22390536
CID 59473598
CID 59473598
CID 71451823
CID 71451823
CID 73356518
CID 73356518
CID 73506498
CID 73506498

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol (CID 68523428) is (2R)-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 (2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol is Cc1cc(Nc2ccc3ncn([C@@H](CO)c4ccc(F)cc4)c3n2)n[nH]1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol?
The InChIKey is HGZFNOXZJGJAHB-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethanol?
(2R)-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 (2R)-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 68523428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).