2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one

C21H23N5O2 — CID 46186009

IUPAC2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one
SMILESCN1Cc2cc(Nc3nc4cccc(CC5CCOCC5)n4n3)ccc2C1=O
InChIInChI=1S/C21H23N5O2/c1-25-13-15-12-16(5-6-18(15)20(25)27)22-21-23-19-4-2-3-17(26(19)24-21)11-14-7-9-28-10-8-14/h2-6,12,14H,7-11,13H2,1H3,(H,22,24)
InChIKeyYUBPFOYUOJYIBM-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.03
Rot. Bonds4

About 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one

2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one (PubChem CID 46186009) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one
PubChem CID46186009
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one
SMILESCN1Cc2cc(Nc3nc4cccc(CC5CCOCC5)n4n3)ccc2C1=O
InChIInChI=1S/C21H23N5O2/c1-25-13-15-12-16(5-6-18(15)20(25)27)22-21-23-19-4-2-3-17(26(19)24-21)11-14-7-9-28-10-8-14/h2-6,12,14H,7-11,13H2,1H3,(H,22,24)
InChIKeyYUBPFOYUOJYIBM-UHFFFAOYSA-N
XLogP3.03
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one?
The IUPAC name of 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one (CID 46186009) is 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one is CN1Cc2cc(Nc3nc4cccc(CC5CCOCC5)n4n3)ccc2C1=O.
What is the InChIKey of 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one?
The InChIKey is YUBPFOYUOJYIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-13-15-12-16(5-6-18(15)20(25)27)22-21-23-19-4-2-3-17(26(19)24-21)11-14-7-9-28-10-8-14/h2-6,12,14H,7-11,13H2,1H3,(H,22,24).
What are the key properties of 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one?
2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one has a molecular weight of 377.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one is sourced from PubChem (CID 46186009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).