(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

C17H15F2N7O2 — CID 25094630

IUPAC(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
SMILESCOc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1
InChIInChI=1S/C17H15F2N7O2/c1-28-15-5-14(24-25-15)22-16-10(19)4-12-17(23-16)26(8-21-12)13(7-27)11-3-2-9(18)6-20-11/h2-6,8,13,27H,7H2,1H3,(H2,22,23,24,25)/t13-/m0/s1
InChIKeyHHCLGERVDPIQQT-ZDUSSCGKSA-N
MW387.35 g/mol
LogP2.16
Rot. Bonds6

About (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

(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 (PubChem CID 25094630) has the molecular formula C17H15F2N7O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID25094630
Molecular FormulaC17H15F2N7O2
Molecular Weight387.35 g/mol
Exact Mass387.13
IUPAC Name(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
SMILESCOc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1
InChIInChI=1S/C17H15F2N7O2/c1-28-15-5-14(24-25-15)22-16-10(19)4-12-17(23-16)26(8-21-12)13(7-27)11-3-2-9(18)6-20-11/h2-6,8,13,27H,7H2,1H3,(H2,22,23,24,25)/t13-/m0/s1
InChIKeyHHCLGERVDPIQQT-ZDUSSCGKSA-N
XLogP2.16
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)[nH]n1.
What is the InChIKey of (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?
The InChIKey is HHCLGERVDPIQQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15F2N7O2/c1-28-15-5-14(24-25-15)22-16-10(19)4-12-17(23-16)26(8-21-12)13(7-27)11-3-2-9(18)6-20-11/h2-6,8,13,27H,7H2,1H3,(H2,22,23,24,25)/t13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 387.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 25094630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).