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

C23H29FN8O2 — CID 146651163

IUPAC1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-4-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2nc(N)n3nc(C4CN(c5cnn(CC(C)(C)O)c5)CCC4C)nc3c2cc1F
InChIInChI=1S/C23H29FN8O2/c1-13-5-6-30(14-9-26-31(10-14)12-23(2,3)33)11-16(13)20-28-21-15-7-17(24)19(34-4)8-18(15)27-22(25)32(21)29-20/h7-10,13,16,33H,5-6,11-12H2,1-4H3,(H2,25,27)
InChIKeyXABFJTJSLRYOEG-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-4-methylpiperidin-1-yl]pyrazol-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)-4-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 146651163) has the molecular formula C23H29FN8O2 and a molecular weight of 468.54 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)-4-methylpiperidin-1-yl]pyrazol-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)-4-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID146651163
Molecular FormulaC23H29FN8O2
Molecular Weight468.54 g/mol
Exact Mass468.24
IUPAC Name1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-4-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2nc(N)n3nc(C4CN(c5cnn(CC(C)(C)O)c5)CCC4C)nc3c2cc1F
InChIInChI=1S/C23H29FN8O2/c1-13-5-6-30(14-9-26-31(10-14)12-23(2,3)33)11-16(13)20-28-21-15-7-17(24)19(34-4)8-18(15)27-22(25)32(21)29-20/h7-10,13,16,33H,5-6,11-12H2,1-4H3,(H2,25,27)
InChIKeyXABFJTJSLRYOEG-UHFFFAOYSA-N
XLogP2.60
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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)-4-methylpiperidin-1-yl]pyrazol-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)-4-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 146651163) is 1-[4-[3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-4-methylpiperidin-1-yl]pyrazol-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)-4-methylpiperidin-1-yl]pyrazol-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)-4-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol is COc1cc2nc(N)n3nc(C4CN(c5cnn(CC(C)(C)O)c5)CCC4C)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)-4-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is XABFJTJSLRYOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN8O2/c1-13-5-6-30(14-9-26-31(10-14)12-23(2,3)33)11-16(13)20-28-21-15-7-17(24)19(34-4)8-18(15)27-22(25)32(21)29-20/h7-10,13,16,33H,5-6,11-12H2,1-4H3,(H2,25,27).
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)-4-methylpiperidin-1-yl]pyrazol-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)-4-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 468.54 g/mol, XLogP of 2.60, 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)-4-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 146651163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).