6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide

C17H13ClN4O2S — CID 170747616

IUPAC6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc2nn(C)cc2cc1NC(=O)c1cc2ccc(Cl)nc2s1
InChIInChI=1S/C17H13ClN4O2S/c1-22-8-10-5-12(13(24-2)7-11(10)21-22)19-16(23)14-6-9-3-4-15(18)20-17(9)25-14/h3-8H,1-2H3,(H,19,23)
InChIKeyAWMZKXAUKGUVRZ-UHFFFAOYSA-N
MW372.84 g/mol
LogP4.10
Rot. Bonds3

About 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide

6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 170747616) has the molecular formula C17H13ClN4O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID170747616
Molecular FormulaC17H13ClN4O2S
Molecular Weight372.84 g/mol
Exact Mass372.04
IUPAC Name6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc2nn(C)cc2cc1NC(=O)c1cc2ccc(Cl)nc2s1
InChIInChI=1S/C17H13ClN4O2S/c1-22-8-10-5-12(13(24-2)7-11(10)21-22)19-16(23)14-6-9-3-4-15(18)20-17(9)25-14/h3-8H,1-2H3,(H,19,23)
InChIKeyAWMZKXAUKGUVRZ-UHFFFAOYSA-N
XLogP4.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 170747616) is 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide is COc1cc2nn(C)cc2cc1NC(=O)c1cc2ccc(Cl)nc2s1.
What is the InChIKey of 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AWMZKXAUKGUVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2S/c1-22-8-10-5-12(13(24-2)7-11(10)21-22)19-16(23)14-6-9-3-4-15(18)20-17(9)25-14/h3-8H,1-2H3,(H,19,23).
What are the key properties of 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 372.84 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 170747616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).