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

C25H28FN7O — CID 155287309

IUPAC5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(N5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C25H28FN7O/c1-24(2)13-33(14-25(3,4)31-24)21-7-6-19(28-29-21)23-20(34)10-16(11-27-23)15-8-17-12-32(5)30-22(17)18(26)9-15/h6-12,31,34H,13-14H2,1-5H3
InChIKeyDBGLYJQFDSQKNX-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.90
Rot. Bonds3

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

5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol (PubChem CID 155287309) has the molecular formula C25H28FN7O and a molecular weight of 461.55 g/mol. Its IUPAC name is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
PubChem CID155287309
Molecular FormulaC25H28FN7O
Molecular Weight461.55 g/mol
Exact Mass461.23
IUPAC Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(N5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C25H28FN7O/c1-24(2)13-33(14-25(3,4)31-24)21-7-6-19(28-29-21)23-20(34)10-16(11-27-23)15-8-17-12-32(5)30-22(17)18(26)9-15/h6-12,31,34H,13-14H2,1-5H3
InChIKeyDBGLYJQFDSQKNX-UHFFFAOYSA-N
XLogP3.90
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.90
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-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol (CID 155287309) is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol is Cn1cc2cc(-c3cnc(-c4ccc(N5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)cc(F)c2n1.
What is the InChIKey of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?
The InChIKey is DBGLYJQFDSQKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O/c1-24(2)13-33(14-25(3,4)31-24)21-7-6-19(28-29-21)23-20(34)10-16(11-27-23)15-8-17-12-32(5)30-22(17)18(26)9-15/h6-12,31,34H,13-14H2,1-5H3.
What are the key properties of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?
5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol has a molecular weight of 461.55 g/mol, XLogP of 3.90, 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-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).