1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one

C22H28FN9O2 — CID 122509893

About 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one

1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one (PubChem CID 122509893) has the molecular formula C22H28FN9O2 and a molecular weight of 469.53 g/mol. Its IUPAC name is 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one
• PubChem CID: 122509893
• Molecular Formula: C22H28FN9O2
• Molecular Weight: 469.53 g/mol
• Exact Mass: 469.23
• IUPAC Name: 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one
• SMILES: CC(C)n1nc(N2CCN(C)C2=O)c2cnc(Nc3ccnc(N4CC[C@H](O)[C@H](F)C4)n3)cc21
• InChI: InChI=1S/C22H28FN9O2/c1-13(2)32-16-10-19(25-11-14(16)20(28-32)31-9-8-29(3)22(31)34)26-18-4-6-24-21(27-18)30-7-5-17(33)15(23)12-30/h4,6,10-11,13,15,17,33H,5,7-9,12H2,1-3H3,(H,24,25,26,27)/t15-,17+/m1/s1
• InChIKey: RWXOUSPWBLPLAU-WBVHZDCISA-N
• XLogP: 2.33
• TPSA: 115.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.53
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one?

The IUPAC name of 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one (CID 122509893) is 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one.

What is the SMILES notation for 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one?

The canonical SMILES for 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one is CC(C)n1nc(N2CCN(C)C2=O)c2cnc(Nc3ccnc(N4CC[C@H](O)[C@H](F)C4)n3)cc21.

What is the InChIKey of 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one?

The InChIKey is RWXOUSPWBLPLAU-WBVHZDCISA-N. The full InChI is InChI=1S/C22H28FN9O2/c1-13(2)32-16-10-19(25-11-14(16)20(28-32)31-9-8-29(3)22(31)34)26-18-4-6-24-21(27-18)30-7-5-17(33)15(23)12-30/h4,6,10-11,13,15,17,33H,5,7-9,12H2,1-3H3,(H,24,25,26,27)/t15-,17+/m1/s1.

What are the key properties of 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one?

1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one has a molecular weight of 469.53 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 122509893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).