(2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol

C19H20FN7O2 — CID 25116186

IUPAC(2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol
SMILESCC(C)Oc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C19H20FN7O2/c1-11(2)29-18-7-17(25-26-18)27-10-22-14-5-6-16(24-19(14)27)23-15(9-28)13-4-3-12(20)8-21-13/h3-8,10-11,15,28H,9H2,1-2H3,(H,23,24)(H,25,26)/t15-/m0/s1
InChIKeyCEDQYWYBSMPQAF-HNNXBMFYSA-N
MW397.41 g/mol
LogP2.61
Rot. Bonds7

About (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol

(2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol (PubChem CID 25116186) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol
PubChem CID25116186
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name(2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol
SMILESCC(C)Oc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C19H20FN7O2/c1-11(2)29-18-7-17(25-26-18)27-10-22-14-5-6-16(24-19(14)27)23-15(9-28)13-4-3-12(20)8-21-13/h3-8,10-11,15,28H,9H2,1-2H3,(H,23,24)(H,25,26)/t15-/m0/s1
InChIKeyCEDQYWYBSMPQAF-HNNXBMFYSA-N
XLogP2.61
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol?
The IUPAC name of (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol (CID 25116186) is (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol.
What is the SMILES notation for (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol?
The canonical SMILES for (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol is CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cn4)nc32)[nH]n1.
What is the InChIKey of (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol?
The InChIKey is CEDQYWYBSMPQAF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-11(2)29-18-7-17(25-26-18)27-10-22-14-5-6-16(24-19(14)27)23-15(9-28)13-4-3-12(20)8-21-13/h3-8,10-11,15,28H,9H2,1-2H3,(H,23,24)(H,25,26)/t15-/m0/s1.
What are the key properties of (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol?
(2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol has a molecular weight of 397.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-pyridinyl)-2-[[3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]ethanol is sourced from PubChem (CID 25116186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).