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

C22H26N6O2 — CID 67293251

IUPAC4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one
SMILESCc1cc(Nc2nc3cccc(NC4CCC(O)CC4)n3n2)c2c(c1)N(C)C(=O)C2
InChIInChI=1S/C22H26N6O2/c1-13-10-17(16-12-21(30)27(2)18(16)11-13)24-22-25-20-5-3-4-19(28(20)26-22)23-14-6-8-15(29)9-7-14/h3-5,10-11,14-15,23,29H,6-9,12H2,1-2H3,(H,24,26)
InChIKeyCXQXCIYAYXCDPA-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.02
Rot. Bonds4

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

4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one (PubChem CID 67293251) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one.

Molecular Properties

Compound Name4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one
PubChem CID67293251
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one
SMILESCc1cc(Nc2nc3cccc(NC4CCC(O)CC4)n3n2)c2c(c1)N(C)C(=O)C2
InChIInChI=1S/C22H26N6O2/c1-13-10-17(16-12-21(30)27(2)18(16)11-13)24-22-25-20-5-3-4-19(28(20)26-22)23-14-6-8-15(29)9-7-14/h3-5,10-11,14-15,23,29H,6-9,12H2,1-2H3,(H,24,26)
InChIKeyCXQXCIYAYXCDPA-UHFFFAOYSA-N
XLogP3.02
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

ethyl 3-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
CID 67294184
4-[[2-[(1-methylindazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol
CID 59276639
4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol
CID 59276406
diethyl 2-[3-amino-5-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]propanedioate
CID 68587926
trans-(1S,3S)-3-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclopentan-1-ol
CID 67294213
N-cyclohexyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 143769216
5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one
CID 115149338
ethyl 4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexane-1-carboxylate;2-[4-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]propan-2-ol
CID 121282014
4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 67293245
N-[5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
CID 25214207
4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136695137
4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol
CID 43232806

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one?
The IUPAC name of 4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one (CID 67293251) is 4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one.
What is the SMILES notation for 4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one?
The canonical SMILES for 4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one is Cc1cc(Nc2nc3cccc(NC4CCC(O)CC4)n3n2)c2c(c1)N(C)C(=O)C2.
What is the InChIKey of 4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one?
The InChIKey is CXQXCIYAYXCDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-13-10-17(16-12-21(30)27(2)18(16)11-13)24-22-25-20-5-3-4-19(28(20)26-22)23-14-6-8-15(29)9-7-14/h3-5,10-11,14-15,23,29H,6-9,12H2,1-2H3,(H,24,26).
What are the key properties of 4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one?
4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one has a molecular weight of 406.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,6-dimethyl-3H-indol-2-one is sourced from PubChem (CID 67293251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).