(2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol

C18H17F2N7O2 — CID 25094903

IUPAC(2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCCOc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1
InChIInChI=1S/C18H17F2N7O2/c1-2-29-16-6-15(25-26-16)23-17-11(20)5-13-18(24-17)27(9-22-13)14(8-28)12-4-3-10(19)7-21-12/h3-7,9,14,28H,2,8H2,1H3,(H2,23,24,25,26)/t14-/m0/s1
InChIKeyLHUAYUBPRYGIMX-AWEZNQCLSA-N
MW401.38 g/mol
LogP2.55
Rot. Bonds7

About (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol

(2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 25094903) has the molecular formula C18H17F2N7O2 and a molecular weight of 401.38 g/mol. Its IUPAC name is (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
PubChem CID25094903
Molecular FormulaC18H17F2N7O2
Molecular Weight401.38 g/mol
Exact Mass401.14
IUPAC Name(2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
SMILESCCOc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1
InChIInChI=1S/C18H17F2N7O2/c1-2-29-16-6-15(25-26-16)23-17-11(20)5-13-18(24-17)27(9-22-13)14(8-28)12-4-3-10(19)7-21-12/h3-7,9,14,28H,2,8H2,1H3,(H2,23,24,25,26)/t14-/m0/s1
InChIKeyLHUAYUBPRYGIMX-AWEZNQCLSA-N
XLogP2.55
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol with MolForge

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Related Compounds

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CID 25115967
N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
CID 59627005
(2R)-2-[6-fluoro-5-[(3-methoxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
CID 25094630
(2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
CID 25094902
(2R)-2-(5-Fluoropyridin-2-yl)-2-{[3-(5-isopropoxy-1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-5-yl]amino}ethanol
CID 25116186
7-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-3-amine
CID 156431643
N-[(1S)-1-(5-Fluoropyridin-2-yl)propyl]-3-(5-isopropoxy-1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-5-amine
CID 25115732
6-Chloro-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-3-(5-isopropoxy-1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-5-amine
CID 25115733
(2R)-2-{[3-(5-Ethoxy-1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-5-yl]amino}-2-(5-fluoropyridin-2-yl)ethanol
CID 25116187
3-(5-Ethoxy-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-5-amine
CID 25116188
3-(5-Ethoxy-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-5-amine
CID 25116189
n-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-6-methoxy-9-(5-methyl-1h-pyrazol-3-yl)-9h-purin-2-amine
CID 25116427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol (CID 25094903) is (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol is CCOc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1.
What is the InChIKey of (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is LHUAYUBPRYGIMX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F2N7O2/c1-2-29-16-6-15(25-26-16)23-17-11(20)5-13-18(24-17)27(9-22-13)14(8-28)12-4-3-10(19)7-21-12/h3-7,9,14,28H,2,8H2,1H3,(H2,23,24,25,26)/t14-/m0/s1.
What are the key properties of (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol?
(2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 401.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 25094903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).