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

C21H23N5O2 — CID 46184972

IUPAC1-methyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(Nc3nc4cccc(CC5CCOCC5)n4n3)cc21
InChIInChI=1S/C21H23N5O2/c1-25-18-13-16(6-5-15(18)12-20(25)27)22-21-23-19-4-2-3-17(26(19)24-21)11-14-7-9-28-10-8-14/h2-6,13-14H,7-12H2,1H3,(H,22,24)
InChIKeyYBSVIRUHBZIOOE-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.96
Rot. Bonds4

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

1-methyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one (PubChem CID 46184972) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-methyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one
PubChem CID46184972
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-methyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(Nc3nc4cccc(CC5CCOCC5)n4n3)cc21
InChIInChI=1S/C21H23N5O2/c1-25-18-13-16(6-5-15(18)12-20(25)27)22-21-23-19-4-2-3-17(26(19)24-21)11-14-7-9-28-10-8-14/h2-6,13-14H,7-12H2,1H3,(H,22,24)
InChIKeyYBSVIRUHBZIOOE-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

US10087185, Example 47
CID 134452555
US10513523, Example 198
CID 122655829
(13R)-13-[4-(dimethylamino)phenyl]-4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-11-one
CID 136907614
6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
CID 59276527
6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
CID 68587729
6-[[5-[Difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid
CID 68589342
Tert-butyl 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylate
CID 68589764
Tert-butyl 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylate
CID 91298065
5-[[6-(Difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-1,3-dihydroindol-2-one
CID 172694747
5-[6-(difluoromethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-methyl-3H-indol-2-one
CID 172802981
5-[[2-Propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one
CID 172858233
N-[(Oxolan-2-YL)methyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-B]pyridin-5-YL]propanamide
CID 23603507

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[5-(oxan-4-ylmethyl)-[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-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one (CID 46184972) is 1-methyl-6-[[5-(oxan-4-ylmethyl)-[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-ylmethyl)-[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-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one is CN1C(=O)Cc2ccc(Nc3nc4cccc(CC5CCOCC5)n4n3)cc21.
What is the InChIKey of 1-methyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one?
The InChIKey is YBSVIRUHBZIOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-18-13-16(6-5-15(18)12-20(25)27)22-21-23-19-4-2-3-17(26(19)24-21)11-14-7-9-28-10-8-14/h2-6,13-14H,7-12H2,1H3,(H,22,24).
What are the key properties of 1-methyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one?
1-methyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one has a molecular weight of 377.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-indol-2-one is sourced from PubChem (CID 46184972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).