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

C21H15N3O3S — CID 23589924

IUPACN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide
SMILESCOc1c(NC(=O)c2ccco2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C21H15N3O3S/c1-26-20-14(22-21(25)15-6-4-10-27-15)9-8-13-18(20)19(24-23-13)17-11-12-5-2-3-7-16(12)28-17/h2-11H,1H3,(H,22,25)(H,23,24)
InChIKeyAYBMIBRCRCGZOW-UHFFFAOYSA-N
MW389.44 g/mol
LogP5.30
Rot. Bonds4

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

N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide (PubChem CID 23589924) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide
PubChem CID23589924
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide
SMILESCOc1c(NC(=O)c2ccco2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C21H15N3O3S/c1-26-20-14(22-21(25)15-6-4-10-27-15)9-8-13-18(20)19(24-23-13)17-11-12-5-2-3-7-16(12)28-17/h2-11H,1H3,(H,22,25)(H,23,24)
InChIKeyAYBMIBRCRCGZOW-UHFFFAOYSA-N
XLogP5.30
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.30
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]furan-2-carboxamide?
The IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide (CID 23589924) is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide is COc1c(NC(=O)c2ccco2)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide?
The InChIKey is AYBMIBRCRCGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c1-26-20-14(22-21(25)15-6-4-10-27-15)9-8-13-18(20)19(24-23-13)17-11-12-5-2-3-7-16(12)28-17/h2-11H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide?
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]furan-2-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 5.30, 4 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]furan-2-carboxamide is sourced from PubChem (CID 23589924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).