N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C22H17ClN6O — CID 53006219

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C22H17ClN6O/c23-16-5-8-19-18(12-16)15(13-26-19)9-11-25-22(30)14-3-6-17(7-4-14)29-21-20(27-28-29)2-1-10-24-21/h1-8,10,12-13,26H,9,11H2,(H,25,30)
InChIKeySVNUGDCVFJHXOB-UHFFFAOYSA-N
MW416.87 g/mol
LogP3.92
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53006219) has the molecular formula C22H17ClN6O and a molecular weight of 416.87 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53006219
Molecular FormulaC22H17ClN6O
Molecular Weight416.87 g/mol
Exact Mass416.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C22H17ClN6O/c23-16-5-8-19-18(12-16)15(13-26-19)9-11-25-22(30)14-3-6-17(7-4-14)29-21-20(27-28-29)2-1-10-24-21/h1-8,10,12-13,26H,9,11H2,(H,25,30)
InChIKeySVNUGDCVFJHXOB-UHFFFAOYSA-N
XLogP3.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide with MolForge

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Related Compounds

4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798361
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 46324037
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-cyanophenyl)benzamide
CID 67973487
5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 166231909
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53006219) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(-n2nnc3cccnc32)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is SVNUGDCVFJHXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O/c23-16-5-8-19-18(12-16)15(13-26-19)9-11-25-22(30)14-3-6-17(7-4-14)29-21-20(27-28-29)2-1-10-24-21/h1-8,10,12-13,26H,9,11H2,(H,25,30).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 416.87 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53006219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).