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

C25H31FN8O2 — CID 146650441

IUPAC1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(CC(C)(C)O)nc5C5CC5)C4)nc3c2cc1F
InChIInChI=1S/C25H31FN8O2/c1-25(2,35)13-33-12-19(21(30-33)14-6-7-14)32-8-4-5-15(11-32)22-29-23-16-9-17(26)20(36-3)10-18(16)28-24(27)34(23)31-22/h9-10,12,14-15,35H,4-8,11,13H2,1-3H3,(H2,27,28)/t15-/m1/s1
InChIKeyVFKMIEMLJHHTFK-OAHLLOKOSA-N
MW494.58 g/mol
LogP3.24
Rot. Bonds6

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

1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 146650441) has the molecular formula C25H31FN8O2 and a molecular weight of 494.58 g/mol. Its IUPAC name is 1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID146650441
Molecular FormulaC25H31FN8O2
Molecular Weight494.58 g/mol
Exact Mass494.26
IUPAC Name1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(CC(C)(C)O)nc5C5CC5)C4)nc3c2cc1F
InChIInChI=1S/C25H31FN8O2/c1-25(2,35)13-33-12-19(21(30-33)14-6-7-14)32-8-4-5-15(11-32)22-29-23-16-9-17(26)20(36-3)10-18(16)28-24(27)34(23)31-22/h9-10,12,14-15,35H,4-8,11,13H2,1-3H3,(H2,27,28)/t15-/m1/s1
InChIKeyVFKMIEMLJHHTFK-OAHLLOKOSA-N
XLogP3.24
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

4-Aminopyrazole quinazoline, 7
CID 25138095
4-Aminopyrazole quinazoline, 8
CID 25138096
8-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317314
(2R,3R,4S,5R)-5-(4-amino-5-pyrazol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-2-[[2-(azetidin-1-yl)quinolin-7-yl]oxymethyl]-4-fluorooxolan-3-ol
CID 156327033
US11312719, Example 72
CID 146650479
US11312719, Example 140
CID 146650486
US11312719, Example 159
CID 146650493
US11312719, Example 236
CID 146650494
US11312719, Example 175
CID 146650497
US11312719, Example 185
CID 146650502
US11312719, Example 205
CID 146650505
US11312719, Example 109
CID 146650716

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol (CID 146650441) is 1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol is COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(CC(C)(C)O)nc5C5CC5)C4)nc3c2cc1F.
What is the InChIKey of 1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is VFKMIEMLJHHTFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H31FN8O2/c1-25(2,35)13-33-12-19(21(30-33)14-6-7-14)32-8-4-5-15(11-32)22-29-23-16-9-17(26)20(36-3)10-18(16)28-24(27)34(23)31-22/h9-10,12,14-15,35H,4-8,11,13H2,1-3H3,(H2,27,28)/t15-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 494.58 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-cyclopropylpyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 146650441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).