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

C21H24F2N6O2 — CID 155287120

IUPAC5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
SMILESCC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4F)cc3O)nn2)[C@H](F)C(C)(C)N1
InChIInChI=1S/C21H24F2N6O2/c1-20(2)8-15(18(22)21(3,4)29-20)31-16-6-5-13(26-27-16)17-14(30)7-11(9-24-17)12-10-25-28-19(12)23/h5-7,9-10,15,18,29-30H,8H2,1-4H3,(H,25,28)/t15-,18-/m0/s1
InChIKeyDECYQCLCPJBWDO-YJBOKZPZSA-N
MW430.46 g/mol
LogP3.41
Rot. Bonds4

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

5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol (PubChem CID 155287120) has the molecular formula C21H24F2N6O2 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
PubChem CID155287120
Molecular FormulaC21H24F2N6O2
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
SMILESCC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4F)cc3O)nn2)[C@H](F)C(C)(C)N1
InChIInChI=1S/C21H24F2N6O2/c1-20(2)8-15(18(22)21(3,4)29-20)31-16-6-5-13(26-27-16)17-14(30)7-11(9-24-17)12-10-25-28-19(12)23/h5-7,9-10,15,18,29-30H,8H2,1-4H3,(H,25,28)/t15-,18-/m0/s1
InChIKeyDECYQCLCPJBWDO-YJBOKZPZSA-N
XLogP3.41
TPSA108.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol (CID 155287120) is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol is CC1(C)C[C@H](Oc2ccc(-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-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
The InChIKey is DECYQCLCPJBWDO-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H24F2N6O2/c1-20(2)8-15(18(22)21(3,4)29-20)31-16-6-5-13(26-27-16)17-14(30)7-11(9-24-17)12-10-25-28-19(12)23/h5-7,9-10,15,18,29-30H,8H2,1-4H3,(H,25,28)/t15-,18-/m0/s1.
What are the key properties of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol has a molecular weight of 430.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 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-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).