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

C19H17FN6O — CID 44823313

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(Cc3ccccc3F)c2)c2cnn(C)c2n1
InChIInChI=1S/C19H17FN6O/c1-12-7-15(16-9-21-25(2)18(16)23-12)19(27)24-14-8-22-26(11-14)10-13-5-3-4-6-17(13)20/h3-9,11H,10H2,1-2H3,(H,24,27)
InChIKeyIJTHKSKQJHYOBB-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.91
Rot. Bonds4

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

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44823313) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44823313
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(Cc3ccccc3F)c2)c2cnn(C)c2n1
InChIInChI=1S/C19H17FN6O/c1-12-7-15(16-9-21-25(2)18(16)23-12)19(27)24-14-8-22-26(11-14)10-13-5-3-4-6-17(13)20/h3-9,11H,10H2,1-2H3,(H,24,27)
InChIKeyIJTHKSKQJHYOBB-UHFFFAOYSA-N
XLogP2.91
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822860
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823365
N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822956
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399975
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823088
6-chloro-2-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 17250376
N-(4-ethoxyphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823208

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 44823313) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cnn(Cc3ccccc3F)c2)c2cnn(C)c2n1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is IJTHKSKQJHYOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-12-7-15(16-9-21-25(2)18(16)23-12)19(27)24-14-8-22-26(11-14)10-13-5-3-4-6-17(13)20/h3-9,11H,10H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44823313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).