5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol

C22H22FN7O — CID 155287399

IUPAC5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1
InChIInChI=1S/C22H22FN7O/c1-13-11-30(6-5-24-13)20-4-3-18(26-27-20)22-19(31)9-15(10-25-22)14-7-16-12-29(2)28-21(16)17(23)8-14/h3-4,7-10,12-13,24,31H,5-6,11H2,1-2H3/t13-/m1/s1
InChIKeyVPITZAQAKVSCJY-CYBMUJFWSA-N
MW419.46 g/mol
LogP2.74
Rot. Bonds3

About 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol

5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol (PubChem CID 155287399) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
PubChem CID155287399
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1
InChIInChI=1S/C22H22FN7O/c1-13-11-30(6-5-24-13)20-4-3-18(26-27-20)22-19(31)9-15(10-25-22)14-7-16-12-29(2)28-21(16)17(23)8-14/h3-4,7-10,12-13,24,31H,5-6,11H2,1-2H3/t13-/m1/s1
InChIKeyVPITZAQAKVSCJY-CYBMUJFWSA-N
XLogP2.74
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol (CID 155287399) is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol is C[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1.
What is the InChIKey of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The InChIKey is VPITZAQAKVSCJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-13-11-30(6-5-24-13)20-4-3-18(26-27-20)22-19(31)9-15(10-25-22)14-7-16-12-29(2)28-21(16)17(23)8-14/h3-4,7-10,12-13,24,31H,5-6,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol has a molecular weight of 419.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).