N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C20H27Cl2N5OS — CID 120601696

IUPACN-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)CCN1.Cl.Cl
InChIInChI=1S/C20H25N5OS.2ClH/c1-12(2)25-19-16(11-22-25)15(10-17(24-19)18-5-4-8-27-18)20(26)23-14-6-7-21-13(3)9-14;;/h4-5,8,10-14,21H,6-7,9H2,1-3H3,(H,23,26);2*1H
InChIKeyXNYZBMFVAVYDPE-UHFFFAOYSA-N
MW456.44 g/mol
LogP4.45
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120601696) has the molecular formula C20H27Cl2N5OS and a molecular weight of 456.44 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID120601696
Molecular FormulaC20H27Cl2N5OS
Molecular Weight456.44 g/mol
Exact Mass455.13
IUPAC NameN-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)CCN1.Cl.Cl
InChIInChI=1S/C20H25N5OS.2ClH/c1-12(2)25-19-16(11-22-25)15(10-17(24-19)18-5-4-8-27-18)20(26)23-14-6-7-21-13(3)9-14;;/h4-5,8,10-14,21H,6-7,9H2,1-3H3,(H,23,26);2*1H
InChIKeyXNYZBMFVAVYDPE-UHFFFAOYSA-N
XLogP4.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-(2-methylpiperidin-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 120600467
1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119533511
N-(2-hydroxyethyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78832388
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119453480
6-phenyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119452068
N,N-dimethyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46674063
N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119572357
N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 45492956
(4-aminopiperidin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119372936
1-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530413
1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78832578
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 120601696) is N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CC1CC(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)CCN1.Cl.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is XNYZBMFVAVYDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS.2ClH/c1-12(2)25-19-16(11-22-25)15(10-17(24-19)18-5-4-8-27-18)20(26)23-14-6-7-21-13(3)9-14;;/h4-5,8,10-14,21H,6-7,9H2,1-3H3,(H,23,26);2*1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 456.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120601696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).