N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

C17H16F2N4O — CID 17026180

IUPACN-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)F)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H16F2N4O/c1-10-8-13(17(24)20-9-14(18)19)15-11(2)22-23(16(15)21-10)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,20,24)
InChIKeyYZXBJVGSHDQFSL-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.03
Rot. Bonds4

About N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 17026180) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID17026180
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)F)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H16F2N4O/c1-10-8-13(17(24)20-9-14(18)19)15-11(2)22-23(16(15)21-10)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,20,24)
InChIKeyYZXBJVGSHDQFSL-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92687692
3,6-dimethyl-1-phenyl-N-(2-pyrazol-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588387
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588547
N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927951
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854062
azepan-1-yl-(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 20927958
1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928099
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 17026180) is N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC(F)F)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is YZXBJVGSHDQFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-10-8-13(17(24)20-9-14(18)19)15-11(2)22-23(16(15)21-10)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,20,24).
What are the key properties of N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17026180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).