[2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol

C18H17FN4O2 — CID 70161265

IUPAC[2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol
SMILESCC1=COC(c2nn(Cc3ccccc3F)c3ncccc23)N1CO
InChIInChI=1S/C18H17FN4O2/c1-12-10-25-18(22(12)11-24)16-14-6-4-8-20-17(14)23(21-16)9-13-5-2-3-7-15(13)19/h2-8,10,18,24H,9,11H2,1H3
InChIKeyRXDUQJMRIAAART-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.76
Rot. Bonds4

About [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol

[2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol (PubChem CID 70161265) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol
PubChem CID70161265
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name[2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol
SMILESCC1=COC(c2nn(Cc3ccccc3F)c3ncccc23)N1CO
InChIInChI=1S/C18H17FN4O2/c1-12-10-25-18(22(12)11-24)16-14-6-4-8-20-17(14)23(21-16)9-13-5-2-3-7-15(13)19/h2-8,10,18,24H,9,11H2,1H3
InChIKeyRXDUQJMRIAAART-UHFFFAOYSA-N
XLogP2.76
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2r,3s,5r)-2-(2,5-Difluorophenyl)-5-(7h-Pyrrolo[3',4':3,4]pyrazolo[1,5-A]pyrimidin-8(9h)-Yl)oxan-3-Amine
CID 24951732
(2R,3S,5R)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050132
(2R,3S,5R)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050761
(2R,3S,5R)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127051045
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
CID 127052289
2-(Methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2236969
5-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2(3H)-one
CID 25016454
N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxypyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 54582098
[6-Phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
CID 71602073
(2R,3S,5S)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127048874
(2R,3S,5S)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127048876
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
CID 127049204

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol?
The IUPAC name of [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol (CID 70161265) is [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol.
What is the SMILES notation for [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol?
The canonical SMILES for [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol is CC1=COC(c2nn(Cc3ccccc3F)c3ncccc23)N1CO.
What is the InChIKey of [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol?
The InChIKey is RXDUQJMRIAAART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-10-25-18(22(12)11-24)16-14-6-4-8-20-17(14)23(21-16)9-13-5-2-3-7-15(13)19/h2-8,10,18,24H,9,11H2,1H3.
What are the key properties of [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol?
[2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol has a molecular weight of 340.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-4-methyl-2H-1,3-oxazol-3-yl]methanol is sourced from PubChem (CID 70161265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).