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

C22H26N6O2 — CID 46186276

IUPAC1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(Nc3nc4cccc(NC5CCOCC5)n4n3)cc21
InChIInChI=1S/C22H26N6O2/c1-22(2)16-8-7-15(13-17(16)27(3)20(22)29)24-21-25-19-6-4-5-18(28(19)26-21)23-14-9-11-30-12-10-14/h4-8,13-14,23H,9-12H2,1-3H3,(H,24,26)
InChIKeyAWXMDWRTWMTIOE-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.32
Rot. Bonds4

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

1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one (PubChem CID 46186276) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one
PubChem CID46186276
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(Nc3nc4cccc(NC5CCOCC5)n4n3)cc21
InChIInChI=1S/C22H26N6O2/c1-22(2)16-8-7-15(13-17(16)27(3)20(22)29)24-21-25-19-6-4-5-18(28(19)26-21)23-14-9-11-30-12-10-14/h4-8,13-14,23H,9-12H2,1-3H3,(H,24,26)
InChIKeyAWXMDWRTWMTIOE-UHFFFAOYSA-N
XLogP3.32
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-Methoxypropyl)-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 23602950
N-(3-methoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
CID 23603531
(3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one
CID 155511199
N-[4-[2-(cyclopentylamino)-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2-methylphenyl]cyclopropanecarboxamide
CID 90176183
N-(3-isopropoxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
CID 23603532
N-[4-[[[5-(oxan-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]acetamide
CID 176284329
1-acetyl-N-[4-[[[2-(oxan-4-ylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]piperidine-4-carboxamide
CID 176284333
N-[4-[[[2-(oxan-4-ylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]propanamide
CID 176284338
N-[4-[[[2-(oxan-4-ylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]acetamide
CID 176284381
1-acryloyl-N-(3-(((8-isopropyl-2-((tetrahydro-2H-pyran-4-yl)amino)pyrazolo[1,5-a][1,3,5]triazin-4-yl)amino)methyl)phenyl)pyrrolidine-3-carboxamide
CID 122537010
US9670208, Example 136 1-methyl-4-phenyl-5-(7-(2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-one
CID 122619937
US10513523, Example 198
CID 122655829

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
The IUPAC name of 1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one (CID 46186276) is 1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one is CN1C(=O)C(C)(C)c2ccc(Nc3nc4cccc(NC5CCOCC5)n4n3)cc21.
What is the InChIKey of 1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
The InChIKey is AWXMDWRTWMTIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-22(2)16-8-7-15(13-17(16)27(3)20(22)29)24-21-25-19-6-4-5-18(28(19)26-21)23-14-9-11-30-12-10-14/h4-8,13-14,23H,9-12H2,1-3H3,(H,24,26).
What are the key properties of 1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one has a molecular weight of 406.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-[[5-(oxan-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one is sourced from PubChem (CID 46186276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).