N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C17H17FN4O2 — CID 111696307

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(F)cc2)c2cnn(C)c2n1
InChIInChI=1S/C17H17FN4O2/c1-10-7-13(14-8-20-22(2)16(14)21-10)17(24)19-9-15(23)11-3-5-12(18)6-4-11/h3-8,15,23H,9H2,1-2H3,(H,19,24)
InChIKeyCRJDSGXWTYGQHJ-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.88
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 111696307) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID111696307
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(F)cc2)c2cnn(C)c2n1
InChIInChI=1S/C17H17FN4O2/c1-10-7-13(14-8-20-22(2)16(14)21-10)17(24)19-9-15(23)11-3-5-12(18)6-4-11/h3-8,15,23H,9H2,1-2H3,(H,19,24)
InChIKeyCRJDSGXWTYGQHJ-UHFFFAOYSA-N
XLogP1.88
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
N-(2-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822860
N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927719
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111696594
6-tert-butyl-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788948
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120946320
N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45495918
6-(2,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797607
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565394
N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822956
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 111696307) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC(O)c2ccc(F)cc2)c2cnn(C)c2n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is CRJDSGXWTYGQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-10-7-13(14-8-20-22(2)16(14)21-10)17(24)19-9-15(23)11-3-5-12(18)6-4-11/h3-8,15,23H,9H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 111696307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).