1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol

C24H31FN8O2 — CID 146651024

IUPAC1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2nc(N)n3nc(C4CC(C)CN(c5cn(CC(C)(C)O)nc5C)C4)nc3c2cc1F
InChIInChI=1S/C24H31FN8O2/c1-13-6-15(10-31(9-13)19-11-32(29-14(19)2)12-24(3,4)34)21-28-22-16-7-17(25)20(35-5)8-18(16)27-23(26)33(22)30-21/h7-8,11,13,15,34H,6,9-10,12H2,1-5H3,(H2,26,27)
InChIKeyLJMBGFFRMXAHKS-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.91
Rot. Bonds5

About 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 146651024) has the molecular formula C24H31FN8O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID146651024
Molecular FormulaC24H31FN8O2
Molecular Weight482.56 g/mol
Exact Mass482.26
IUPAC Name1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2nc(N)n3nc(C4CC(C)CN(c5cn(CC(C)(C)O)nc5C)C4)nc3c2cc1F
InChIInChI=1S/C24H31FN8O2/c1-13-6-15(10-31(9-13)19-11-32(29-14(19)2)12-24(3,4)34)21-28-22-16-7-17(25)20(35-5)8-18(16)27-23(26)33(22)30-21/h7-8,11,13,15,34H,6,9-10,12H2,1-5H3,(H2,26,27)
InChIKeyLJMBGFFRMXAHKS-UHFFFAOYSA-N
XLogP2.91
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol (CID 146651024) is 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol is COc1cc2nc(N)n3nc(C4CC(C)CN(c5cn(CC(C)(C)O)nc5C)C4)nc3c2cc1F.
What is the InChIKey of 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is LJMBGFFRMXAHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN8O2/c1-13-6-15(10-31(9-13)19-11-32(29-14(19)2)12-24(3,4)34)21-28-22-16-7-17(25)20(35-5)8-18(16)27-23(26)33(22)30-21/h7-8,11,13,15,34H,6,9-10,12H2,1-5H3,(H2,26,27).
What are the key properties of 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 482.56 g/mol, XLogP of 2.91, 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-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 146651024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).