1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol

C24H33FN8O2 — CID 122509943

About 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol

1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol (PubChem CID 122509943) has the molecular formula C24H33FN8O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol.

Molecular Properties

• Compound Name: 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol
• PubChem CID: 122509943
• Molecular Formula: C24H33FN8O2
• Molecular Weight: 484.58 g/mol
• Exact Mass: 484.27
• IUPAC Name: 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol
• SMILES: CC[C@H](C)n1nc(N2CC[C@H](O)C2)c2cnc(Nc3ccnc(N4CCC(C)(O)C(F)C4)n3)cc21
• InChI: InChI=1S/C24H33FN8O2/c1-4-15(2)33-18-11-21(27-12-17(18)22(30-33)31-9-6-16(34)13-31)28-20-5-8-26-23(29-20)32-10-7-24(3,35)19(25)14-32/h5,8,11-12,15-16,19,34-35H,4,6-7,9-10,13-14H2,1-3H3,(H,26,27,28,29)/t15-,16-,19?,24?/m0/s1
• InChIKey: SLJHIALMOMOVKB-KZDPTQIISA-N
• XLogP: 2.81
• TPSA: 115.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.58
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol?

The IUPAC name of 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol (CID 122509943) is 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol.

What is the SMILES notation for 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol?

The canonical SMILES for 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol is CC[C@H](C)n1nc(N2CC[C@H](O)C2)c2cnc(Nc3ccnc(N4CCC(C)(O)C(F)C4)n3)cc21.

What is the InChIKey of 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol?

The InChIKey is SLJHIALMOMOVKB-KZDPTQIISA-N. The full InChI is InChI=1S/C24H33FN8O2/c1-4-15(2)33-18-11-21(27-12-17(18)22(30-33)31-9-6-16(34)13-31)28-20-5-8-26-23(29-20)32-10-7-24(3,35)19(25)14-32/h5,8,11-12,15-16,19,34-35H,4,6-7,9-10,13-14H2,1-3H3,(H,26,27,28,29)/t15-,16-,19?,24?/m0/s1.

What are the key properties of 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol?

1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol has a molecular weight of 484.58 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[1-[(2S)-butan-2-yl]-3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]-3-fluoro-4-methylpiperidin-4-ol is sourced from PubChem (CID 122509943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).