(2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol

C18H18FN3O — CID 155389233

IUPAC(2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol
SMILESCc1cc(-c2cnc3cnn([C@H](CO)C4CC4)c3c2)ccc1F
InChIInChI=1S/C18H18FN3O/c1-11-6-13(4-5-15(11)19)14-7-17-16(20-8-14)9-21-22(17)18(10-23)12-2-3-12/h4-9,12,18,23H,2-3,10H2,1H3/t18-/m1/s1
InChIKeyCEADBQUYSHUCGQ-GOSISDBHSA-N
MW311.36 g/mol
LogP3.49
Rot. Bonds4

About (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol

(2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol (PubChem CID 155389233) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol
PubChem CID155389233
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol
SMILESCc1cc(-c2cnc3cnn([C@H](CO)C4CC4)c3c2)ccc1F
InChIInChI=1S/C18H18FN3O/c1-11-6-13(4-5-15(11)19)14-7-17-16(20-8-14)9-21-22(17)18(10-23)12-2-3-12/h4-9,12,18,23H,2-3,10H2,1H3/t18-/m1/s1
InChIKeyCEADBQUYSHUCGQ-GOSISDBHSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol?
The IUPAC name of (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol (CID 155389233) is (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol.
What is the SMILES notation for (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol?
The canonical SMILES for (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol is Cc1cc(-c2cnc3cnn([C@H](CO)C4CC4)c3c2)ccc1F.
What is the InChIKey of (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol?
The InChIKey is CEADBQUYSHUCGQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-11-6-13(4-5-15(11)19)14-7-17-16(20-8-14)9-21-22(17)18(10-23)12-2-3-12/h4-9,12,18,23H,2-3,10H2,1H3/t18-/m1/s1.
What are the key properties of (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol?
(2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol has a molecular weight of 311.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol is sourced from PubChem (CID 155389233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).