N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide

C21H21N5O2S — CID 152524681

IUPACN-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)nc2)c2ccsc2n1
InChIInChI=1S/C21H21N5O2S/c1-26-13-16(12-24-26)18-4-3-14(11-23-18)9-15-10-19(20(27)22-6-7-28-2)25-21-17(15)5-8-29-21/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,22,27)
InChIKeyYIGIDWNLSVNKOR-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.06
Rot. Bonds7

About N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide

N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide (PubChem CID 152524681) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
PubChem CID152524681
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
SMILESCOCCNC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)nc2)c2ccsc2n1
InChIInChI=1S/C21H21N5O2S/c1-26-13-16(12-24-26)18-4-3-14(11-23-18)9-15-10-19(20(27)22-6-7-28-2)25-21-17(15)5-8-29-21/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,22,27)
InChIKeyYIGIDWNLSVNKOR-UHFFFAOYSA-N
XLogP3.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide (CID 152524681) is N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide is COCCNC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)nc2)c2ccsc2n1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
The InChIKey is YIGIDWNLSVNKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-26-13-16(12-24-26)18-4-3-14(11-23-18)9-15-10-19(20(27)22-6-7-28-2)25-21-17(15)5-8-29-21/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,22,27).
What are the key properties of N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 152524681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).