2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol

C18H16F2N6O — CID 68525084

IUPAC2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol
SMILESCc1cc(Nc2nc3c(cc2F)ncn3C(CO)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H16F2N6O/c1-10-6-16(25-24-10)22-17-13(20)7-14-18(23-17)26(9-21-14)15(8-27)11-2-4-12(19)5-3-11/h2-7,9,15,27H,8H2,1H3,(H2,22,23,24,25)
InChIKeyNPZHJOYNZHBLLV-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.07
Rot. Bonds5

About 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol

2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol (PubChem CID 68525084) has the molecular formula C18H16F2N6O and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol
PubChem CID68525084
Molecular FormulaC18H16F2N6O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol
SMILESCc1cc(Nc2nc3c(cc2F)ncn3C(CO)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H16F2N6O/c1-10-6-16(25-24-10)22-17-13(20)7-14-18(23-17)26(9-21-14)15(8-27)11-2-4-12(19)5-3-11/h2-7,9,15,27H,8H2,1H3,(H2,22,23,24,25)
InChIKeyNPZHJOYNZHBLLV-UHFFFAOYSA-N
XLogP3.07
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol (CID 68525084) is 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol is Cc1cc(Nc2nc3c(cc2F)ncn3C(CO)c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol?
The InChIKey is NPZHJOYNZHBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O/c1-10-6-16(25-24-10)22-17-13(20)7-14-18(23-17)26(9-21-14)15(8-27)11-2-4-12(19)5-3-11/h2-7,9,15,27H,8H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol?
2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol has a molecular weight of 370.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 68525084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).