N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H25N5O3S — CID 47082631

IUPACN-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C(=O)NCc3ccco3)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C23H25N5O3S/c1-13(2)28-21-18(12-25-28)17(10-19(27-21)20-8-7-14(3)32-20)23(30)26-15(4)22(29)24-11-16-6-5-9-31-16/h5-10,12-13,15H,11H2,1-4H3,(H,24,29)(H,26,30)
InChIKeyVAXIAYBIZJNYIF-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.08
Rot. Bonds7

About N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47082631) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID47082631
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C(=O)NCc3ccco3)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C23H25N5O3S/c1-13(2)28-21-18(12-25-28)17(10-19(27-21)20-8-7-14(3)32-20)23(30)26-15(4)22(29)24-11-16-6-5-9-31-16/h5-10,12-13,15H,11H2,1-4H3,(H,24,29)(H,26,30)
InChIKeyVAXIAYBIZJNYIF-UHFFFAOYSA-N
XLogP4.08
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(5-methylthiophen-2-yl)-N,1-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689458
2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
CID 119350254
N-(2-aminoethyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119384940
6-(furan-2-yl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56555808
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46524468
N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119508664
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37392918
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55890972
N-[3-(ethylcarbamoyl)phenyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46690184
N'-[2-(1H-indol-3-yl)acetyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 46690705
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55501595
6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78868896

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 47082631) is N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)C(=O)NCc3ccco3)c3cnn(C(C)C)c3n2)s1.
What is the InChIKey of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VAXIAYBIZJNYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-13(2)28-21-18(12-25-28)17(10-19(27-21)20-8-7-14(3)32-20)23(30)26-15(4)22(29)24-11-16-6-5-9-31-16/h5-10,12-13,15H,11H2,1-4H3,(H,24,29)(H,26,30).
What are the key properties of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47082631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).