6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C19H19F2N5O2 — CID 154640329

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC1(N)CCN(c2cc(C(=O)O)c3c(-c4ccc(F)c(F)c4)[nH]nc3n2)CC1
InChIInChI=1S/C19H19F2N5O2/c1-19(22)4-6-26(7-5-19)14-9-11(18(27)28)15-16(24-25-17(15)23-14)10-2-3-12(20)13(21)8-10/h2-3,8-9H,4-7,22H2,1H3,(H,27,28)(H,23,24,25)
InChIKeyACSDVXZTTRTMTQ-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.92
Rot. Bonds3

About 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 154640329) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID154640329
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC1(N)CCN(c2cc(C(=O)O)c3c(-c4ccc(F)c(F)c4)[nH]nc3n2)CC1
InChIInChI=1S/C19H19F2N5O2/c1-19(22)4-6-26(7-5-19)14-9-11(18(27)28)15-16(24-25-17(15)23-14)10-2-3-12(20)13(21)8-10/h2-3,8-9H,4-7,22H2,1H3,(H,27,28)(H,23,24,25)
InChIKeyACSDVXZTTRTMTQ-UHFFFAOYSA-N
XLogP2.92
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 154640321
1-[3-(5-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134379003
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743
6-(5-bromo-2-fluorophenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548858
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine
CID 154640341
6-(2-fluorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548814
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548747
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile
CID 154640320
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 71821260
6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136507976
3-(4-methylphenyl)-6-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 126458786
4-methyl-1-[3-[2-methyl-3-(methylamino)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 145413056

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 154640329) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is CC1(N)CCN(c2cc(C(=O)O)c3c(-c4ccc(F)c(F)c4)[nH]nc3n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is ACSDVXZTTRTMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-19(22)4-6-26(7-5-19)14-9-11(18(27)28)15-16(24-25-17(15)23-14)10-2-3-12(20)13(21)8-10/h2-3,8-9H,4-7,22H2,1H3,(H,27,28)(H,23,24,25).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 387.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 154640329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).