3-[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]-3-methylbutan-2-ol

C25H33FN8O2 — CID 146650505

IUPAC3-[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]-3-methylbutan-2-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc(C3CC(C)CN(c4cn(C(C)(C)C(C)O)nc4C)C3)nc21
InChIInChI=1S/C25H33FN8O2/c1-13-7-16(11-32(10-13)19-12-33(30-14(19)2)25(4,5)15(3)35)22-29-23-18-8-17(26)9-20(36-6)21(18)28-24(27)34(23)31-22/h8-9,12-13,15-16,35H,7,10-11H2,1-6H3,(H2,27,28)
InChIKeyATNZMFDOXRGWJB-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.26
Rot. Bonds5

About 3-[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]-3-methylbutan-2-ol

3-[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]-3-methylbutan-2-ol (PubChem CID 146650505) has the molecular formula C25H33FN8O2 and a molecular weight of 496.59 g/mol. Its IUPAC name is 3-[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]-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-[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]-3-methylbutan-2-ol
PubChem CID146650505
Molecular FormulaC25H33FN8O2
Molecular Weight496.59 g/mol
Exact Mass496.27
IUPAC Name3-[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]-3-methylbutan-2-ol
SMILESCOc1cc(F)cc2c1nc(N)n1nc(C3CC(C)CN(c4cn(C(C)(C)C(C)O)nc4C)C3)nc21
InChIInChI=1S/C25H33FN8O2/c1-13-7-16(11-32(10-13)19-12-33(30-14(19)2)25(4,5)15(3)35)22-29-23-18-8-17(26)9-20(36-6)21(18)28-24(27)34(23)31-22/h8-9,12-13,15-16,35H,7,10-11H2,1-6H3,(H2,27,28)
InChIKeyATNZMFDOXRGWJB-UHFFFAOYSA-N
XLogP3.26
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[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]-3-methylbutan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[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]-3-methylbutan-2-ol?
The IUPAC name of 3-[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]-3-methylbutan-2-ol (CID 146650505) is 3-[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]-3-methylbutan-2-ol.
What is the SMILES notation for 3-[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]-3-methylbutan-2-ol?
The canonical SMILES for 3-[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]-3-methylbutan-2-ol is COc1cc(F)cc2c1nc(N)n1nc(C3CC(C)CN(c4cn(C(C)(C)C(C)O)nc4C)C3)nc21.
What is the InChIKey of 3-[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]-3-methylbutan-2-ol?
The InChIKey is ATNZMFDOXRGWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN8O2/c1-13-7-16(11-32(10-13)19-12-33(30-14(19)2)25(4,5)15(3)35)22-29-23-18-8-17(26)9-20(36-6)21(18)28-24(27)34(23)31-22/h8-9,12-13,15-16,35H,7,10-11H2,1-6H3,(H2,27,28).
What are the key properties of 3-[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]-3-methylbutan-2-ol?
3-[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]-3-methylbutan-2-ol has a molecular weight of 496.59 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[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]-3-methylbutan-2-ol is sourced from PubChem (CID 146650505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).