1-[[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol

C23H26F2N8O2 — CID 146650479

IUPAC1-[[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc(C3CC(F)CN(c4cnn(CC5(O)CCC5)c4)C3)nc21
InChIInChI=1S/C23H26F2N8O2/c1-35-18-7-14(24)6-17-19(18)28-22(26)33-21(17)29-20(30-33)13-5-15(25)10-31(9-13)16-8-27-32(11-16)12-23(34)3-2-4-23/h6-8,11,13,15,34H,2-5,9-10,12H2,1H3,(H2,26,28)
InChIKeyXTLNHYDIHJNREZ-UHFFFAOYSA-N
MW484.51 g/mol
LogP2.45
Rot. Bonds5

About 1-[[4-[3-(5-amino-9-fluoro-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-9-fluoro-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 146650479) has the molecular formula C23H26F2N8O2 and a molecular weight of 484.51 g/mol. Its IUPAC name is 1-[[4-[3-(5-amino-9-fluoro-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-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol
PubChem CID146650479
Molecular FormulaC23H26F2N8O2
Molecular Weight484.51 g/mol
Exact Mass484.21
IUPAC Name1-[[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc(C3CC(F)CN(c4cnn(CC5(O)CCC5)c4)C3)nc21
InChIInChI=1S/C23H26F2N8O2/c1-35-18-7-14(24)6-17-19(18)28-22(26)33-21(17)29-20(30-33)13-5-15(25)10-31(9-13)16-8-27-32(11-16)12-23(34)3-2-4-23/h6-8,11,13,15,34H,2-5,9-10,12H2,1H3,(H2,26,28)
InChIKeyXTLNHYDIHJNREZ-UHFFFAOYSA-N
XLogP2.45
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[[4-[3-(5-amino-9-fluoro-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-9-fluoro-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-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol (CID 146650479) is 1-[[4-[3-(5-amino-9-fluoro-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-9-fluoro-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-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl]pyrazol-1-yl]methyl]cyclobutan-1-ol is COc1cc(F)cc2c1nc(N)n1nc(C3CC(F)CN(c4cnn(CC5(O)CCC5)c4)C3)nc21.
What is the InChIKey of 1-[[4-[3-(5-amino-9-fluoro-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 XTLNHYDIHJNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8O2/c1-35-18-7-14(24)6-17-19(18)28-22(26)33-21(17)29-20(30-33)13-5-15(25)10-31(9-13)16-8-27-32(11-16)12-23(34)3-2-4-23/h6-8,11,13,15,34H,2-5,9-10,12H2,1H3,(H2,26,28).
What are the key properties of 1-[[4-[3-(5-amino-9-fluoro-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-9-fluoro-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 484.51 g/mol, XLogP of 2.45, 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-9-fluoro-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 146650479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).