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

C21H26FN7O — CID 155287337

IUPAC2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol
SMILESCC1(C)C[C@H](Nc2ccc(-c3ncc(-c4ccn[nH]4)cc3O)nn2)[C@H](F)C(C)(C)N1
InChIInChI=1S/C21H26FN7O/c1-20(2)10-15(19(22)21(3,4)29-20)25-17-6-5-14(27-28-17)18-16(30)9-12(11-23-18)13-7-8-24-26-13/h5-9,11,15,19,29-30H,10H2,1-4H3,(H,24,26)(H,25,28)/t15-,19-/m0/s1
InChIKeyOXSFIWISPHERGW-KXBFYZLASA-N
MW411.49 g/mol
LogP3.30
Rot. Bonds4

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

2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol (PubChem CID 155287337) has the molecular formula C21H26FN7O and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol
PubChem CID155287337
Molecular FormulaC21H26FN7O
Molecular Weight411.49 g/mol
Exact Mass411.22
IUPAC Name2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol
SMILESCC1(C)C[C@H](Nc2ccc(-c3ncc(-c4ccn[nH]4)cc3O)nn2)[C@H](F)C(C)(C)N1
InChIInChI=1S/C21H26FN7O/c1-20(2)10-15(19(22)21(3,4)29-20)25-17-6-5-14(27-28-17)18-16(30)9-12(11-23-18)13-7-8-24-26-13/h5-9,11,15,19,29-30H,10H2,1-4H3,(H,24,26)(H,25,28)/t15-,19-/m0/s1
InChIKeyOXSFIWISPHERGW-KXBFYZLASA-N
XLogP3.30
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol (CID 155287337) is 2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol is CC1(C)C[C@H](Nc2ccc(-c3ncc(-c4ccn[nH]4)cc3O)nn2)[C@H](F)C(C)(C)N1.
What is the InChIKey of 2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol?
The InChIKey is OXSFIWISPHERGW-KXBFYZLASA-N. The full InChI is InChI=1S/C21H26FN7O/c1-20(2)10-15(19(22)21(3,4)29-20)25-17-6-5-14(27-28-17)18-16(30)9-12(11-23-18)13-7-8-24-26-13/h5-9,11,15,19,29-30H,10H2,1-4H3,(H,24,26)(H,25,28)/t15-,19-/m0/s1.
What are the key properties of 2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol?
2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol has a molecular weight of 411.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)pyridin-3-ol is sourced from PubChem (CID 155287337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).