1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone

C25H29FN8O3 — CID 134587613

About 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone

1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 134587613) has the molecular formula C25H29FN8O3 and a molecular weight of 508.56 g/mol. Its IUPAC name is 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone
• PubChem CID: 134587613
• Molecular Formula: C25H29FN8O3
• Molecular Weight: 508.56 g/mol
• Exact Mass: 508.23
• IUPAC Name: 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone
• SMILES: CC(C)(O)Cn1cc(-c2ccnc(-c3cnn4cc(N[C@@H]5CCCN(C(=O)CO)C5)c(F)cc34)n2)cn1
• InChI: InChI=1S/C25H29FN8O3/c1-25(2,37)15-33-11-16(9-28-33)20-5-6-27-24(31-20)18-10-29-34-13-21(19(26)8-22(18)34)30-17-4-3-7-32(12-17)23(36)14-35/h5-6,8-11,13,17,30,35,37H,3-4,7,12,14-15H2,1-2H3/t17-/m1/s1
• InChIKey: UXNCLRNELXFAID-QGZVFWFLSA-N
• XLogP: 1.96
• TPSA: 133.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.56
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone?

The IUPAC name of 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone (CID 134587613) is 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone.

What is the SMILES notation for 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone?

The canonical SMILES for 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone is CC(C)(O)Cn1cc(-c2ccnc(-c3cnn4cc(N[C@@H]5CCCN(C(=O)CO)C5)c(F)cc34)n2)cn1.

What is the InChIKey of 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone?

The InChIKey is UXNCLRNELXFAID-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H29FN8O3/c1-25(2,37)15-33-11-16(9-28-33)20-5-6-27-24(31-20)18-10-29-34-13-21(19(26)8-22(18)34)30-17-4-3-7-32(12-17)23(36)14-35/h5-6,8-11,13,17,30,35,37H,3-4,7,12,14-15H2,1-2H3/t17-/m1/s1.

What are the key properties of 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone?

1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 508.56 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[[5-fluoro-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]amino]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 134587613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).