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

C20H27Cl2N5OS — CID 119564932

IUPACN-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC(C)n1ncc2c(C(=O)NC3(CN)CCCC3)cc(-c3cccs3)nc21.Cl.Cl
InChIInChI=1S/C20H25N5OS.2ClH/c1-13(2)25-18-15(11-22-25)14(10-16(23-18)17-6-5-9-27-17)19(26)24-20(12-21)7-3-4-8-20;;/h5-6,9-11,13H,3-4,7-8,12,21H2,1-2H3,(H,24,26);2*1H
InChIKeyIJKLYTGMARNONN-UHFFFAOYSA-N
MW456.44 g/mol
LogP4.59
Rot. Bonds5

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

N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119564932) has the molecular formula C20H27Cl2N5OS and a molecular weight of 456.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119564932
Molecular FormulaC20H27Cl2N5OS
Molecular Weight456.44 g/mol
Exact Mass455.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC(C)n1ncc2c(C(=O)NC3(CN)CCCC3)cc(-c3cccs3)nc21.Cl.Cl
InChIInChI=1S/C20H25N5OS.2ClH/c1-13(2)25-18-15(11-22-25)14(10-16(23-18)17-6-5-9-27-17)19(26)24-20(12-21)7-3-4-8-20;;/h5-6,9-11,13H,3-4,7-8,12,21H2,1-2H3,(H,24,26);2*1H
InChIKeyIJKLYTGMARNONN-UHFFFAOYSA-N
XLogP4.59
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119564933
1-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530413
N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119568202
N-(1-amino-2-methylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119521467
N-[1-(aminomethyl)cyclopentyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119565233
N-(2-hydroxyethyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78832388
N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119572357
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907
N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 45492956
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119631003
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51966662
N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654897

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119564932) is N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CC(C)n1ncc2c(C(=O)NC3(CN)CCCC3)cc(-c3cccs3)nc21.Cl.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is IJKLYTGMARNONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS.2ClH/c1-13(2)25-18-15(11-22-25)14(10-16(23-18)17-6-5-9-27-17)19(26)24-20(12-21)7-3-4-8-20;;/h5-6,9-11,13H,3-4,7-8,12,21H2,1-2H3,(H,24,26);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]-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 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119564932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).