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

C20H25N5OS — CID 119564933

IUPACN-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NC3(CN)CCCC3)cc(-c3cccs3)nc21
InChIInChI=1S/C20H25N5OS/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)
InChIKeyPNWZJYPEZYLJLG-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.74
Rot. Bonds5

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

N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119564933) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119564933
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NC3(CN)CCCC3)cc(-c3cccs3)nc21
InChIInChI=1S/C20H25N5OS/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)
InChIKeyPNWZJYPEZYLJLG-UHFFFAOYSA-N
XLogP3.74
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.74
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;dihydrochloride
CID 119564932
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
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907
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
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
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119631004

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?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 119564933) is N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NC3(CN)CCCC3)cc(-c3cccs3)nc21.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PNWZJYPEZYLJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/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).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.74, 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 is sourced from PubChem (CID 119564933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).