N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C19H25Cl2N5OS — CID 119603149

IUPACN-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3CCCC3CN)c12.Cl.Cl
InChIInChI=1S/C19H23N5OS.2ClH/c1-11-17-13(19(25)22-14-6-3-5-12(14)10-20)9-15(16-7-4-8-26-16)21-18(17)24(2)23-11;;/h4,7-9,12,14H,3,5-6,10,20H2,1-2H3,(H,22,25);2*1H
InChIKeyOYTJKNWPUPDCQG-UHFFFAOYSA-N
MW442.42 g/mol
LogP3.71
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119603149) has the molecular formula C19H25Cl2N5OS and a molecular weight of 442.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119603149
Molecular FormulaC19H25Cl2N5OS
Molecular Weight442.42 g/mol
Exact Mass441.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3CCCC3CN)c12.Cl.Cl
InChIInChI=1S/C19H23N5OS.2ClH/c1-11-17-13(19(25)22-14-6-3-5-12(14)10-20)9-15(16-7-4-8-26-16)21-18(17)24(2)23-11;;/h4,7-9,12,14H,3,5-6,10,20H2,1-2H3,(H,22,25);2*1H
InChIKeyOYTJKNWPUPDCQG-UHFFFAOYSA-N
XLogP3.71
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride 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

N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166211140
[2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119468131
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119512509
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025
1,3-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60616772
1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081
N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111428920
N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166179880
N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56518414
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 44822989
1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51867188

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119603149) is N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3CCCC3CN)c12.Cl.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is OYTJKNWPUPDCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS.2ClH/c1-11-17-13(19(25)22-14-6-3-5-12(14)10-20)9-15(16-7-4-8-26-16)21-18(17)24(2)23-11;;/h4,7-9,12,14H,3,5-6,10,20H2,1-2H3,(H,22,25);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 442.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119603149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).