1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C22H19FN4O3 — CID 55631434

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Cn2ncc3cc(C(=O)Nc4ccccc4F)cnc32)c(OC)c1
InChIInChI=1S/C22H19FN4O3/c1-29-17-8-7-14(20(10-17)30-2)13-27-21-15(12-25-27)9-16(11-24-21)22(28)26-19-6-4-3-5-18(19)23/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyHLDMCZQLJPMQKR-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.89
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55631434) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID55631434
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Cn2ncc3cc(C(=O)Nc4ccccc4F)cnc32)c(OC)c1
InChIInChI=1S/C22H19FN4O3/c1-29-17-8-7-14(20(10-17)30-2)13-27-21-15(12-25-27)9-16(11-24-21)22(28)26-19-6-4-3-5-18(19)23/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyHLDMCZQLJPMQKR-UHFFFAOYSA-N
XLogP3.89
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46409802
N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55796905
1-[(2,4-dimethoxyphenyl)methyl]-N-(4-methoxybutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55724733
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46410868
N-(1-amino-2-methylpropan-2-yl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119523052
N-(3-amino-2-methylpropyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119998253
methyl 2-[[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-methylpentanoate
CID 55670298
1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-ethylbutyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 39482906
1-[(2,4-dimethoxyphenyl)methyl]-N-[1-(oxolan-2-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632561
1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624443
2-[[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carbonyl]-ethylamino]acetic acid
CID 120519814

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 55631434) is 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(Cn2ncc3cc(C(=O)Nc4ccccc4F)cnc32)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HLDMCZQLJPMQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-29-17-8-7-14(20(10-17)30-2)13-27-21-15(12-25-27)9-16(11-24-21)22(28)26-19-6-4-3-5-18(19)23/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55631434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).