5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol

C21H25F2N7O — CID 164806084

About 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol

5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol (PubChem CID 164806084) has the molecular formula C21H25F2N7O and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol
• PubChem CID: 164806084
• Molecular Formula: C21H25F2N7O
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.21
• IUPAC Name: 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol
• SMILES: CC1(C)C[C@H](Nc2ccc(-c3ncc(-c4cn[nH]c4F)cc3O)nn2)[C@H](F)C(C)(C)N1
• InChI: InChI=1S/C21H25F2N7O/c1-20(2)8-14(18(22)21(3,4)30-20)26-16-6-5-13(27-28-16)17-15(31)7-11(9-24-17)12-10-25-29-19(12)23/h5-7,9-10,14,18,30-31H,8H2,1-4H3,(H,25,29)(H,26,28)/t14-,18-/m0/s1
• InChIKey: HUKFAULZBUHBJO-KSSFIOAISA-N
• XLogP: 3.44
• TPSA: 111.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol?

The IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol (CID 164806084) is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol.

What is the SMILES notation for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol?

The canonical SMILES for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol is CC1(C)C[C@H](Nc2ccc(-c3ncc(-c4cn[nH]c4F)cc3O)nn2)[C@H](F)C(C)(C)N1.

What is the InChIKey of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol?

The InChIKey is HUKFAULZBUHBJO-KSSFIOAISA-N. The full InChI is InChI=1S/C21H25F2N7O/c1-20(2)8-14(18(22)21(3,4)30-20)26-16-6-5-13(27-28-16)17-15(31)7-11(9-24-17)12-10-25-29-19(12)23/h5-7,9-10,14,18,30-31H,8H2,1-4H3,(H,25,29)(H,26,28)/t14-,18-/m0/s1.

What are the key properties of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol?

5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol has a molecular weight of 429.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 164806084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).