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

C28H26N4OS — CID 22261018

IUPACN-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H26N4OS/c33-28(20-12-14-32(15-13-20)18-19-6-2-1-3-7-19)29-22-10-11-24-23(17-22)27(31-30-24)26-16-21-8-4-5-9-25(21)34-26/h1-11,16-17,20H,12-15,18H2,(H,29,33)(H,30,31)
InChIKeyQFJNUWYRJKPGNN-UHFFFAOYSA-N
MW466.61 g/mol
LogP6.30
Rot. Bonds5

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

N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide (PubChem CID 22261018) has the molecular formula C28H26N4OS and a molecular weight of 466.61 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide
PubChem CID22261018
Molecular FormulaC28H26N4OS
Molecular Weight466.61 g/mol
Exact Mass466.18
IUPAC NameN-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H26N4OS/c33-28(20-12-14-32(15-13-20)18-19-6-2-1-3-7-19)29-22-10-11-24-23(17-22)27(31-30-24)26-16-21-8-4-5-9-25(21)34-26/h1-11,16-17,20H,12-15,18H2,(H,29,33)(H,30,31)
InChIKeyQFJNUWYRJKPGNN-UHFFFAOYSA-N
XLogP6.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide (CID 22261018) is N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide is O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide?
The InChIKey is QFJNUWYRJKPGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4OS/c33-28(20-12-14-32(15-13-20)18-19-6-2-1-3-7-19)29-22-10-11-24-23(17-22)27(31-30-24)26-16-21-8-4-5-9-25(21)34-26/h1-11,16-17,20H,12-15,18H2,(H,29,33)(H,30,31).
What are the key properties of N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide?
N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide is sourced from PubChem (CID 22261018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).