cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol

C21H24N8O — CID 123632329

IUPACcyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
SMILESCn1nccc1Nc1nccc(-c2ccn3c(C(O)C4CCCCC4)nnc3c2)n1
InChIInChI=1S/C21H24N8O/c1-28-17(8-11-23-28)25-21-22-10-7-16(24-21)15-9-12-29-18(13-15)26-27-20(29)19(30)14-5-3-2-4-6-14/h7-14,19,30H,2-6H2,1H3,(H,22,24,25)
InChIKeyYILNBPSRRRQFFH-UHFFFAOYSA-N
MW404.48 g/mol
LogP3.28
Rot. Bonds5

About cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol

cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 123632329) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
PubChem CID123632329
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Namecyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
SMILESCn1nccc1Nc1nccc(-c2ccn3c(C(O)C4CCCCC4)nnc3c2)n1
InChIInChI=1S/C21H24N8O/c1-28-17(8-11-23-28)25-21-22-10-7-16(24-21)15-9-12-29-18(13-15)26-27-20(29)19(30)14-5-3-2-4-6-14/h7-14,19,30H,2-6H2,1H3,(H,22,24,25)
InChIKeyYILNBPSRRRQFFH-UHFFFAOYSA-N
XLogP3.28
TPSA106.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
The IUPAC name of cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol (CID 123632329) is cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol.
What is the SMILES notation for cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
The canonical SMILES for cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol is Cn1nccc1Nc1nccc(-c2ccn3c(C(O)C4CCCCC4)nnc3c2)n1.
What is the InChIKey of cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
The InChIKey is YILNBPSRRRQFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-28-17(8-11-23-28)25-21-22-10-7-16(24-21)15-9-12-29-18(13-15)26-27-20(29)19(30)14-5-3-2-4-6-14/h7-14,19,30H,2-6H2,1H3,(H,22,24,25).
What are the key properties of cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 404.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 123632329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).