1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one

C20H22N6O2 — CID 46184973

IUPAC1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(Nc3nc4cccc(NC5CCOCC5)n4n3)cc21
InChIInChI=1S/C20H22N6O2/c1-25-16-12-15(6-5-13(16)11-19(25)27)22-20-23-18-4-2-3-17(26(18)24-20)21-14-7-9-28-10-8-14/h2-6,12,14,21H,7-11H2,1H3,(H,22,24)
InChIKeyLJSUCKPTJXBGAW-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.58
Rot. Bonds4

About 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one

1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one (PubChem CID 46184973) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one
PubChem CID46184973
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(Nc3nc4cccc(NC5CCOCC5)n4n3)cc21
InChIInChI=1S/C20H22N6O2/c1-25-16-12-15(6-5-13(16)11-19(25)27)22-20-23-18-4-2-3-17(26(18)24-20)21-14-7-9-28-10-8-14/h2-6,12,14,21H,7-11H2,1H3,(H,22,24)
InChIKeyLJSUCKPTJXBGAW-UHFFFAOYSA-N
XLogP2.58
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one?
The IUPAC name of 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one (CID 46184973) is 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one?
The canonical SMILES for 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one is CN1C(=O)Cc2ccc(Nc3nc4cccc(NC5CCOCC5)n4n3)cc21.
What is the InChIKey of 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one?
The InChIKey is LJSUCKPTJXBGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25-16-12-15(6-5-13(16)11-19(25)27)22-20-23-18-4-2-3-17(26(18)24-20)21-14-7-9-28-10-8-14/h2-6,12,14,21H,7-11H2,1H3,(H,22,24).
What are the key properties of 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one?
1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one has a molecular weight of 378.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one is sourced from PubChem (CID 46184973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).