N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H24N4O2S — CID 47790099

IUPACN-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C
InChIInChI=1S/C20H24N4O2S/c1-4-24(12-14-7-5-9-26-14)20(25)15-11-16(17-8-6-10-27-17)21-19-18(15)13(2)22-23(19)3/h6,8,10-11,14H,4-5,7,9,12H2,1-3H3
InChIKeyPIYZNOCZIVPZGX-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.65
Rot. Bonds5

About N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47790099) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID47790099
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C
InChIInChI=1S/C20H24N4O2S/c1-4-24(12-14-7-5-9-26-14)20(25)15-11-16(17-8-6-10-27-17)21-19-18(15)13(2)22-23(19)3/h6,8,10-11,14H,4-5,7,9,12H2,1-3H3
InChIKeyPIYZNOCZIVPZGX-UHFFFAOYSA-N
XLogP3.65
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]propanoic acid
CID 120516645
N-[(3-fluorophenyl)methyl]-1,3,6-trimethyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 49337892
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35701623
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119512509
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 44822989
1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42111491
N,1,3-trimethyl-N-(2-phenoxyethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522947
phenacyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509925
(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119364932
(2R,3R)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116223
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782879

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 47790099) is N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC1CCCO1)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C.
What is the InChIKey of N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PIYZNOCZIVPZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-4-24(12-14-7-5-9-26-14)20(25)15-11-16(17-8-6-10-27-17)21-19-18(15)13(2)22-23(19)3/h6,8,10-11,14H,4-5,7,9,12H2,1-3H3.
What are the key properties of N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47790099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).