N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H19N5O — CID 59612378

IUPACN-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CNC5)nc23)c1
InChIInChI=1S/C21H19N5O/c1-27-18-5-2-4-14(11-18)19-6-3-9-26-20(19)24-21(25-26)23-17-8-7-15-12-22-13-16(15)10-17/h2-11,22H,12-13H2,1H3,(H,23,25)
InChIKeyIICBGMWCBQZMKR-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.75
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59612378) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59612378
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CNC5)nc23)c1
InChIInChI=1S/C21H19N5O/c1-27-18-5-2-4-14(11-18)19-6-3-9-26-20(19)24-21(25-26)23-17-8-7-15-12-22-13-16(15)10-17/h2-11,22H,12-13H2,1H3,(H,23,25)
InChIKeyIICBGMWCBQZMKR-UHFFFAOYSA-N
XLogP3.75
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59612378) is N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CNC5)nc23)c1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IICBGMWCBQZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-27-18-5-2-4-14(11-18)19-6-3-9-26-20(19)24-21(25-26)23-17-8-7-15-12-22-13-16(15)10-17/h2-11,22H,12-13H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 357.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-yl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59612378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).