3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine

C20H21N7O — CID 53262194

IUPAC3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine
SMILESCOCCn1cc(-c2ccc3nnn(CC4Cc5ccccc5N4)c3n2)cn1
InChIInChI=1S/C20H21N7O/c1-28-9-8-26-12-15(11-21-26)18-6-7-19-20(23-18)27(25-24-19)13-16-10-14-4-2-3-5-17(14)22-16/h2-7,11-12,16,22H,8-10,13H2,1H3
InChIKeyJTEDPAHBFUYXJD-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.37
Rot. Bonds6

About 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine

3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine (PubChem CID 53262194) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine
PubChem CID53262194
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine
SMILESCOCCn1cc(-c2ccc3nnn(CC4Cc5ccccc5N4)c3n2)cn1
InChIInChI=1S/C20H21N7O/c1-28-9-8-26-12-15(11-21-26)18-6-7-19-20(23-18)27(25-24-19)13-16-10-14-4-2-3-5-17(14)22-16/h2-7,11-12,16,22H,8-10,13H2,1H3
InChIKeyJTEDPAHBFUYXJD-UHFFFAOYSA-N
XLogP2.37
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine (CID 53262194) is 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine is COCCn1cc(-c2ccc3nnn(CC4Cc5ccccc5N4)c3n2)cn1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine?
The InChIKey is JTEDPAHBFUYXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-28-9-8-26-12-15(11-21-26)18-6-7-19-20(23-18)27(25-24-19)13-16-10-14-4-2-3-5-17(14)22-16/h2-7,11-12,16,22H,8-10,13H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine?
3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine has a molecular weight of 375.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine is sourced from PubChem (CID 53262194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).