N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C16H15FN4O2 — CID 111565960

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NCC(O)c3ccccc3F)cc12
InChIInChI=1S/C16H15FN4O2/c1-9-12-6-10(7-18-15(12)21-20-9)16(23)19-8-14(22)11-4-2-3-5-13(11)17/h2-7,14,22H,8H2,1H3,(H,19,23)(H,18,20,21)
InChIKeyOFMNYPBUZFXFDC-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 111565960) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID111565960
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NCC(O)c3ccccc3F)cc12
InChIInChI=1S/C16H15FN4O2/c1-9-12-6-10(7-18-15(12)21-20-9)16(23)19-8-14(22)11-4-2-3-5-13(11)17/h2-7,14,22H,8H2,1H3,(H,19,23)(H,18,20,21)
InChIKeyOFMNYPBUZFXFDC-UHFFFAOYSA-N
XLogP1.87
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 120830779
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120654061
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 74237551
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide
CID 111565667
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide
CID 111565791
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 111566262
2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566012

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 111565960) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1[nH]nc2ncc(C(=O)NCC(O)c3ccccc3F)cc12.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OFMNYPBUZFXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-9-12-6-10(7-18-15(12)21-20-9)16(23)19-8-14(22)11-4-2-3-5-13(11)17/h2-7,14,22H,8H2,1H3,(H,19,23)(H,18,20,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 111565960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).