3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide

C22H18N4O2S2 — CID 23589751

IUPAC3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCc2nccs2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C22H18N4O2S2/c1-28-21-14(22(27)24-9-8-18-23-10-11-29-18)6-7-15-19(21)20(26-25-15)17-12-13-4-2-3-5-16(13)30-17/h2-7,10-12H,8-9H2,1H3,(H,24,27)(H,25,26)
InChIKeySTYMIGDVFQGLRD-UHFFFAOYSA-N
MW434.55 g/mol
LogP4.88
Rot. Bonds6

About 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide (PubChem CID 23589751) has the molecular formula C22H18N4O2S2 and a molecular weight of 434.55 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide
PubChem CID23589751
Molecular FormulaC22H18N4O2S2
Molecular Weight434.55 g/mol
Exact Mass434.09
IUPAC Name3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCc2nccs2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C22H18N4O2S2/c1-28-21-14(22(27)24-9-8-18-23-10-11-29-18)6-7-15-19(21)20(26-25-15)17-12-13-4-2-3-5-16(13)30-17/h2-7,10-12H,8-9H2,1H3,(H,24,27)(H,25,26)
InChIKeySTYMIGDVFQGLRD-UHFFFAOYSA-N
XLogP4.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide (CID 23589751) is 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide is COc1c(C(=O)NCCc2nccs2)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide?
The InChIKey is STYMIGDVFQGLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S2/c1-28-21-14(22(27)24-9-8-18-23-10-11-29-18)6-7-15-19(21)20(26-25-15)17-12-13-4-2-3-5-16(13)30-17/h2-7,10-12H,8-9H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide has a molecular weight of 434.55 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).