N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H31N5O2S — CID 35363125

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C
InChIInChI=1S/C23H31N5O2S/c1-8-27(13-20(29)26-23(5,6)7)22(30)16-11-18(19-10-9-15(4)31-19)25-21-17(16)12-24-28(21)14(2)3/h9-12,14H,8,13H2,1-7H3,(H,26,29)
InChIKeyZPHMWQPPGBKDSL-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.43
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 35363125) has the molecular formula C23H31N5O2S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID35363125
Molecular FormulaC23H31N5O2S
Molecular Weight441.60 g/mol
Exact Mass441.22
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C
InChIInChI=1S/C23H31N5O2S/c1-8-27(13-20(29)26-23(5,6)7)22(30)16-11-18(19-10-9-15(4)31-19)25-21-17(16)12-24-28(21)14(2)3/h9-12,14H,8,13H2,1-7H3,(H,26,29)
InChIKeyZPHMWQPPGBKDSL-UHFFFAOYSA-N
XLogP4.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 35363125) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZPHMWQPPGBKDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2S/c1-8-27(13-20(29)26-23(5,6)7)22(30)16-11-18(19-10-9-15(4)31-19)25-21-17(16)12-24-28(21)14(2)3/h9-12,14H,8,13H2,1-7H3,(H,26,29).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35363125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).