6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol

C17H17FN4O2 — CID 118651850

IUPAC6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol
SMILESCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(O)c(F)cc21
InChIInChI=1S/C17H17FN4O2/c1-21-14-10-13(18)15(23)9-12(14)17(20-21)11-2-3-19-16(8-11)22-4-6-24-7-5-22/h2-3,8-10,23H,4-7H2,1H3
InChIKeyLKSYTEDDAOMQNH-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.32
Rot. Bonds2

About 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol

6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol (PubChem CID 118651850) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol
PubChem CID118651850
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol
SMILESCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(O)c(F)cc21
InChIInChI=1S/C17H17FN4O2/c1-21-14-10-13(18)15(23)9-12(14)17(20-21)11-2-3-19-16(8-11)22-4-6-24-7-5-22/h2-3,8-10,23H,4-7H2,1H3
InChIKeyLKSYTEDDAOMQNH-UHFFFAOYSA-N
XLogP2.32
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol?
The IUPAC name of 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol (CID 118651850) is 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol.
What is the SMILES notation for 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol?
The canonical SMILES for 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol is Cn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(O)c(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol?
The InChIKey is LKSYTEDDAOMQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-21-14-10-13(18)15(23)9-12(14)17(20-21)11-2-3-19-16(8-11)22-4-6-24-7-5-22/h2-3,8-10,23H,4-7H2,1H3.
What are the key properties of 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol?
6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol has a molecular weight of 328.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-5-ol is sourced from PubChem (CID 118651850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).