6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C20H22FN5O2 — CID 136591808

IUPAC6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2nc(-c3ccc(O)c(F)c3)cc(C(=O)NC3CCCN(C)C3)c12
InChIInChI=1S/C20H22FN5O2/c1-11-18-14(20(28)22-13-4-3-7-26(2)10-13)9-16(23-19(18)25-24-11)12-5-6-17(27)15(21)8-12/h5-6,8-9,13,27H,3-4,7,10H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKeyZSRUMQJARLORPC-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.60
Rot. Bonds3

About 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 136591808) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID136591808
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2nc(-c3ccc(O)c(F)c3)cc(C(=O)NC3CCCN(C)C3)c12
InChIInChI=1S/C20H22FN5O2/c1-11-18-14(20(28)22-13-4-3-7-26(2)10-13)9-16(23-19(18)25-24-11)12-5-6-17(27)15(21)8-12/h5-6,8-9,13,27H,3-4,7,10H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKeyZSRUMQJARLORPC-UHFFFAOYSA-N
XLogP2.60
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclohexylpiperidin-4-yl)-6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591810
N-(6-aminospiro[3.3]heptan-2-yl)-6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591790
3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591756
6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136507976
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507861
[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-propan-2-ylpiperazin-1-yl)methanone
CID 136508066
[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpiperazin-1-yl]methanone
CID 136508065
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
CID 178093607
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 46190864
2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 104917016

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 136591808) is 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1[nH]nc2nc(-c3ccc(O)c(F)c3)cc(C(=O)NC3CCCN(C)C3)c12.
What is the InChIKey of 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ZSRUMQJARLORPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-11-18-14(20(28)22-13-4-3-7-26(2)10-13)9-16(23-19(18)25-24-11)12-5-6-17(27)15(21)8-12/h5-6,8-9,13,27H,3-4,7,10H2,1-2H3,(H,22,28)(H,23,24,25).
What are the key properties of 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 136591808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).