1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol

C23H27FN8O2 — CID 167359167

IUPAC1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(F)CN(c4cnn(CC5(O)CCC5)c4)C3)nc21
InChIInChI=1S/C23H27FN8O2/c1-34-18-5-2-4-17-19(18)27-22(25)32-21(17)28-20(29-32)14-8-15(24)11-30(10-14)16-9-26-31(12-16)13-23(33)6-3-7-23/h2,4-5,9,12,14-15,33H,3,6-8,10-11,13H2,1H3,(H2,25,27)
InChIKeyQALNFHJYASAQMO-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.31
Rot. Bonds5

About 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol

1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol (PubChem CID 167359167) has the molecular formula C23H27FN8O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol
PubChem CID167359167
Molecular FormulaC23H27FN8O2
Molecular Weight466.52 g/mol
Exact Mass466.22
IUPAC Name1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(F)CN(c4cnn(CC5(O)CCC5)c4)C3)nc21
InChIInChI=1S/C23H27FN8O2/c1-34-18-5-2-4-17-19(18)27-22(25)32-21(17)28-20(29-32)14-8-15(24)11-30(10-14)16-9-26-31(12-16)13-23(33)6-3-7-23/h2,4-5,9,12,14-15,33H,3,6-8,10-11,13H2,1H3,(H2,25,27)
InChIKeyQALNFHJYASAQMO-UHFFFAOYSA-N
XLogP2.31
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol (CID 167359167) is 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol is COc1cccc2c1nc(N)n1nc(C3CC(F)CN(c4cnn(CC5(O)CCC5)c4)C3)nc21.
What is the InChIKey of 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol?
The InChIKey is QALNFHJYASAQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN8O2/c1-34-18-5-2-4-17-19(18)27-22(25)32-21(17)28-20(29-32)14-8-15(24)11-30(10-14)16-9-26-31(12-16)13-23(33)6-3-7-23/h2,4-5,9,12,14-15,33H,3,6-8,10-11,13H2,1H3,(H2,25,27).
What are the key properties of 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol?
1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol has a molecular weight of 466.52 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 167359167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).