5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol

C24H26FN7O — CID 155287379

IUPAC5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C[C@H](C)N1C
InChIInChI=1S/C24H26FN7O/c1-14-11-32(12-15(2)31(14)4)22-6-5-20(27-28-22)24-21(33)9-17(10-26-24)16-7-18-13-30(3)29-23(18)19(25)8-16/h5-10,13-15,33H,11-12H2,1-4H3/t14-,15+
InChIKeyAESVNQVEJBWRDI-GASCZTMLSA-N
MW447.52 g/mol
LogP3.47
Rot. Bonds3

About 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol

5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol (PubChem CID 155287379) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
PubChem CID155287379
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C[C@H](C)N1C
InChIInChI=1S/C24H26FN7O/c1-14-11-32(12-15(2)31(14)4)22-6-5-20(27-28-22)24-21(33)9-17(10-26-24)16-7-18-13-30(3)29-23(18)19(25)8-16/h5-10,13-15,33H,11-12H2,1-4H3/t14-,15+
InChIKeyAESVNQVEJBWRDI-GASCZTMLSA-N
XLogP3.47
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
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,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol (CID 155287379) is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol is C[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C[C@H](C)N1C.
What is the InChIKey of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The InChIKey is AESVNQVEJBWRDI-GASCZTMLSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-14-11-32(12-15(2)31(14)4)22-6-5-20(27-28-22)24-21(33)9-17(10-26-24)16-7-18-13-30(3)29-23(18)19(25)8-16/h5-10,13-15,33H,11-12H2,1-4H3/t14-,15+.
What are the key properties of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol has a molecular weight of 447.52 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 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,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).