2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol

C24H31FN8O2 — CID 146650497

IUPAC2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc(C3CC(C)CN(c4cn(C(C)(C)CO)nc4C)C3)nc21
InChIInChI=1S/C24H31FN8O2/c1-13-6-15(10-31(9-13)18-11-32(29-14(18)2)24(3,4)12-34)21-28-22-17-7-16(25)8-19(35-5)20(17)27-23(26)33(22)30-21/h7-8,11,13,15,34H,6,9-10,12H2,1-5H3,(H2,26,27)
InChIKeyLFWFKHQPUWTRMT-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.87
Rot. Bonds5

About 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol

2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 146650497) has the molecular formula C24H31FN8O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID146650497
Molecular FormulaC24H31FN8O2
Molecular Weight482.56 g/mol
Exact Mass482.26
IUPAC Name2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc(C3CC(C)CN(c4cn(C(C)(C)CO)nc4C)C3)nc21
InChIInChI=1S/C24H31FN8O2/c1-13-6-15(10-31(9-13)18-11-32(29-14(18)2)24(3,4)12-34)21-28-22-17-7-16(25)8-19(35-5)20(17)27-23(26)33(22)30-21/h7-8,11,13,15,34H,6,9-10,12H2,1-5H3,(H2,26,27)
InChIKeyLFWFKHQPUWTRMT-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol (CID 146650497) is 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol is COc1cc(F)cc2c1nc(N)n1nc(C3CC(C)CN(c4cn(C(C)(C)CO)nc4C)C3)nc21.
What is the InChIKey of 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is LFWFKHQPUWTRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN8O2/c1-13-6-15(10-31(9-13)18-11-32(29-14(18)2)24(3,4)12-34)21-28-22-17-7-16(25)8-19(35-5)20(17)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 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 482.56 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]-3-methylpyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 146650497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).