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

C18H18FN7O2 — CID 25116187

IUPAC(2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCCOc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C18H18FN7O2/c1-2-28-17-7-16(24-25-17)26-10-21-13-5-6-15(23-18(13)26)22-14(9-27)12-4-3-11(19)8-20-12/h3-8,10,14,27H,2,9H2,1H3,(H,22,23)(H,24,25)/t14-/m0/s1
InChIKeyQORXXHJYKNVXNU-AWEZNQCLSA-N
MW383.39 g/mol
LogP2.22
Rot. Bonds7

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

(2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 25116187) has the molecular formula C18H18FN7O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is (2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol
PubChem CID25116187
Molecular FormulaC18H18FN7O2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC Name(2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCCOc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C18H18FN7O2/c1-2-28-17-7-16(24-25-17)26-10-21-13-5-6-15(23-18(13)26)22-14(9-27)12-4-3-11(19)8-20-12/h3-8,10,14,27H,2,9H2,1H3,(H,22,23)(H,24,25)/t14-/m0/s1
InChIKeyQORXXHJYKNVXNU-AWEZNQCLSA-N
XLogP2.22
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of (2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol (CID 25116187) is (2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol is CCOc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cn4)nc32)[nH]n1.
What is the InChIKey of (2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is QORXXHJYKNVXNU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18FN7O2/c1-2-28-17-7-16(24-25-17)26-10-21-13-5-6-15(23-18(13)26)22-14(9-27)12-4-3-11(19)8-20-12/h3-8,10,14,27H,2,9H2,1H3,(H,22,23)(H,24,25)/t14-/m0/s1.
What are the key properties of (2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol?
(2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 383.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(3-ethoxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]amino]-2-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 25116187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).