N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide

C20H19N3O3S — CID 22260908

IUPACN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1OC
InChIInChI=1S/C20H19N3O3S/c1-25-10-9-17(24)21-14-8-7-13-18(20(14)26-2)19(23-22-13)16-11-12-5-3-4-6-15(12)27-16/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyULASSTNKSZFOCZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.43
Rot. Bonds6

About N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide

N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide (PubChem CID 22260908) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide
PubChem CID22260908
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1OC
InChIInChI=1S/C20H19N3O3S/c1-25-10-9-17(24)21-14-8-7-13-18(20(14)26-2)19(23-22-13)16-11-12-5-3-4-6-15(12)27-16/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyULASSTNKSZFOCZ-UHFFFAOYSA-N
XLogP4.43
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide?
The IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide (CID 22260908) is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide?
The canonical SMILES for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide is COCCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1OC.
What is the InChIKey of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide?
The InChIKey is ULASSTNKSZFOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-25-10-9-17(24)21-14-8-7-13-18(20(14)26-2)19(23-22-13)16-11-12-5-3-4-6-15(12)27-16/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide?
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide has a molecular weight of 381.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide is sourced from PubChem (CID 22260908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).