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

C19H19Cl2N5O2 — CID 154640321

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC1(N)CCN(c2cc(C(=O)O)c3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C19H19Cl2N5O2/c1-19(22)5-7-26(8-6-19)13-9-11(18(27)28)14-16(24-25-17(14)23-13)10-3-2-4-12(20)15(10)21/h2-4,9H,5-8,22H2,1H3,(H,27,28)(H,23,24,25)
InChIKeyQOVDUYMRDGJDCL-UHFFFAOYSA-N
MW420.30 g/mol
LogP3.95
Rot. Bonds3

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

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 154640321) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID154640321
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC1(N)CCN(c2cc(C(=O)O)c3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C19H19Cl2N5O2/c1-19(22)5-7-26(8-6-19)13-9-11(18(27)28)14-16(24-25-17(14)23-13)10-3-2-4-12(20)15(10)21/h2-4,9H,5-8,22H2,1H3,(H,27,28)(H,23,24,25)
InChIKeyQOVDUYMRDGJDCL-UHFFFAOYSA-N
XLogP3.95
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 154640329
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine
CID 154640341
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-N-hydroxy-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
CID 149381861
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid
CID 156805716
6-(4-amino-4-methylpiperidin-1-yl)-3-(3-bromo-2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 156805650
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 156805632
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile
CID 154640320
6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chloro-2-fluorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 139440599
6-[4-amino-4-(1H-indazol-5-yl)piperidin-1-yl]-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 156805703
N-[6-(4-amino-4-methylpiperidin-1-yl)-3-(3-bromo-2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]formamide
CID 166652879
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 156805770
[1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate
CID 170319734

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 154640321) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is CC1(N)CCN(c2cc(C(=O)O)c3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is QOVDUYMRDGJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2/c1-19(22)5-7-26(8-6-19)13-9-11(18(27)28)14-16(24-25-17(14)23-13)10-3-2-4-12(20)15(10)21/h2-4,9H,5-8,22H2,1H3,(H,27,28)(H,23,24,25).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 420.30 g/mol, XLogP of 3.95, 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-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 154640321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).