4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol

C18H19N7O2 — CID 67293668

IUPAC4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol
SMILESCc1[nH]nc2cc(Nc3nc4cccc(NC5COCC5O)n4n3)ccc12
InChIInChI=1S/C18H19N7O2/c1-10-12-6-5-11(7-13(12)23-22-10)19-18-21-17-4-2-3-16(25(17)24-18)20-14-8-27-9-15(14)26/h2-7,14-15,20,26H,8-9H2,1H3,(H,19,24)(H,22,23)
InChIKeyGFLFNYIOEYTWAE-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.83
Rot. Bonds4

About 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol

4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol (PubChem CID 67293668) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol
PubChem CID67293668
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol
SMILESCc1[nH]nc2cc(Nc3nc4cccc(NC5COCC5O)n4n3)ccc12
InChIInChI=1S/C18H19N7O2/c1-10-12-6-5-11(7-13(12)23-22-10)19-18-21-17-4-2-3-16(25(17)24-18)20-14-8-27-9-15(14)26/h2-7,14-15,20,26H,8-9H2,1H3,(H,19,24)(H,22,23)
InChIKeyGFLFNYIOEYTWAE-UHFFFAOYSA-N
XLogP1.83
TPSA112.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol?
The IUPAC name of 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol (CID 67293668) is 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol.
What is the SMILES notation for 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol?
The canonical SMILES for 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol is Cc1[nH]nc2cc(Nc3nc4cccc(NC5COCC5O)n4n3)ccc12.
What is the InChIKey of 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol?
The InChIKey is GFLFNYIOEYTWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-10-12-6-5-11(7-13(12)23-22-10)19-18-21-17-4-2-3-16(25(17)24-18)20-14-8-27-9-15(14)26/h2-7,14-15,20,26H,8-9H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol?
4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol has a molecular weight of 365.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol is sourced from PubChem (CID 67293668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).