(3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol

C23H29FN8O2 — CID 122509956

About (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol

(3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 122509956) has the molecular formula C23H29FN8O2 and a molecular weight of 468.54 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
• PubChem CID: 122509956
• Molecular Formula: C23H29FN8O2
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.24
• IUPAC Name: (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
• SMILES: CC(C)n1nc(N2CC3(COC3)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@H](F)C4)n3)cc21
• InChI: InChI=1S/C23H29FN8O2/c1-14(2)32-17-7-20(26-8-15(17)21(29-32)31-10-23(11-31)12-34-13-23)27-19-3-5-25-22(28-19)30-6-4-18(33)16(24)9-30/h3,5,7-8,14,16,18,33H,4,6,9-13H2,1-2H3,(H,25,26,27,28)/t16-,18+/m0/s1
• InChIKey: NFDJUXMYJIQJGM-FUHWJXTLSA-N
• XLogP: 2.29
• TPSA: 104.46 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	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol?

The IUPAC name of (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol (CID 122509956) is (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol.

What is the SMILES notation for (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol?

The canonical SMILES for (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol is CC(C)n1nc(N2CC3(COC3)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@H](F)C4)n3)cc21.

What is the InChIKey of (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol?

The InChIKey is NFDJUXMYJIQJGM-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H29FN8O2/c1-14(2)32-17-7-20(26-8-15(17)21(29-32)31-10-23(11-31)12-34-13-23)27-19-3-5-25-22(28-19)30-6-4-18(33)16(24)9-30/h3,5,7-8,14,16,18,33H,4,6,9-13H2,1-2H3,(H,25,26,27,28)/t16-,18+/m0/s1.

What are the key properties of (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol?

(3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 468.54 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 122509956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).