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

C23H29FN8O2 — CID 146651087

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

(2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol (PubChem CID 146651087) has the molecular formula C23H29FN8O2 and a molecular weight of 468.54 g/mol. Its IUPAC name is (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol.

Molecular Properties

• Compound Name: (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol
• PubChem CID: 146651087
• Molecular Formula: C23H29FN8O2
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.24
• IUPAC Name: (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol
• SMILES: COc1cc(F)cc2c1nc(N)n1nc([C@@H]3CCCN(c4cn([C@H](C)[C@@H](C)O)nc4C)C3)nc21
• InChI: InChI=1S/C23H29FN8O2/c1-12-18(11-31(28-12)13(2)14(3)33)30-7-5-6-15(10-30)21-27-22-17-8-16(24)9-19(34-4)20(17)26-23(25)32(22)29-21/h8-9,11,13-15,33H,5-7,10H2,1-4H3,(H2,25,26)/t13-,14-,15-/m1/s1
• InChIKey: QPCXKEGURWUDNH-RBSFLKMASA-N
• XLogP: 2.84
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol?

The IUPAC name of (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol (CID 146651087) is (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol.

What is the SMILES notation for (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol?

The canonical SMILES for (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol is COc1cc(F)cc2c1nc(N)n1nc([C@@H]3CCCN(c4cn([C@H](C)[C@@H](C)O)nc4C)C3)nc21.

What is the InChIKey of (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol?

The InChIKey is QPCXKEGURWUDNH-RBSFLKMASA-N. The full InChI is InChI=1S/C23H29FN8O2/c1-12-18(11-31(28-12)13(2)14(3)33)30-7-5-6-15(10-30)21-27-22-17-8-16(24)9-19(34-4)20(17)26-23(25)32(22)29-21/h8-9,11,13-15,33H,5-7,10H2,1-4H3,(H2,25,26)/t13-,14-,15-/m1/s1.

What are the key properties of (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol?

(2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol has a molecular weight of 468.54 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 146651087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).