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

C20H27Cl2N5OS — CID 119572357

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC(C)n1ncc2c(C(=O)NC(C)(CN)C3CC3)cc(-c3cccs3)nc21.Cl.Cl
InChIInChI=1S/C20H25N5OS.2ClH/c1-12(2)25-18-15(10-22-25)14(9-16(23-18)17-5-4-8-27-17)19(26)24-20(3,11-21)13-6-7-13;;/h4-5,8-10,12-13H,6-7,11,21H2,1-3H3,(H,24,26);2*1H
InChIKeyHUWRJVYTZSTWAQ-UHFFFAOYSA-N
MW456.44 g/mol
LogP4.44
Rot. Bonds6

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

N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119572357) has the molecular formula C20H27Cl2N5OS and a molecular weight of 456.44 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119572357
Molecular FormulaC20H27Cl2N5OS
Molecular Weight456.44 g/mol
Exact Mass455.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC(C)n1ncc2c(C(=O)NC(C)(CN)C3CC3)cc(-c3cccs3)nc21.Cl.Cl
InChIInChI=1S/C20H25N5OS.2ClH/c1-12(2)25-18-15(10-22-25)14(9-16(23-18)17-5-4-8-27-17)19(26)24-20(3,11-21)13-6-7-13;;/h4-5,8-10,12-13H,6-7,11,21H2,1-3H3,(H,24,26);2*1H
InChIKeyHUWRJVYTZSTWAQ-UHFFFAOYSA-N
XLogP4.44
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-amino-2-cyclopropylpropan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119575707
N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119564932
N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119564933
N-(2-hydroxyethyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78832388
(4-aminopiperidin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119372936
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119631003
N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120601696
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119652546
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119631004
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CID 45492956

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119572357) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CC(C)n1ncc2c(C(=O)NC(C)(CN)C3CC3)cc(-c3cccs3)nc21.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is HUWRJVYTZSTWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS.2ClH/c1-12(2)25-18-15(10-22-25)14(9-16(23-18)17-5-4-8-27-17)19(26)24-20(3,11-21)13-6-7-13;;/h4-5,8-10,12-13H,6-7,11,21H2,1-3H3,(H,24,26);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-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 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119572357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).