4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

C18H19FN4O3S — CID 90400995

IUPAC4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCS(=O)(=O)Cc1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F
InChIInChI=1S/C18H19FN4O3S/c1-27(24,25)11-13-8-14-16(10-15(13)19)21-22-18(14)12-2-3-20-17(9-12)23-4-6-26-7-5-23/h2-3,8-10H,4-7,11H2,1H3,(H,21,22)
InChIKeyXXZCXTOSQKCMBM-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.15
Rot. Bonds4

About 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 90400995) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID90400995
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCS(=O)(=O)Cc1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F
InChIInChI=1S/C18H19FN4O3S/c1-27(24,25)11-13-8-14-16(10-15(13)19)21-22-18(14)12-2-3-20-17(9-12)23-4-6-26-7-5-23/h2-3,8-10H,4-7,11H2,1H3,(H,21,22)
InChIKeyXXZCXTOSQKCMBM-UHFFFAOYSA-N
XLogP2.15
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (CID 90400995) is 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is CS(=O)(=O)Cc1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F.
What is the InChIKey of 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is XXZCXTOSQKCMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-27(24,25)11-13-8-14-16(10-15(13)19)21-22-18(14)12-2-3-20-17(9-12)23-4-6-26-7-5-23/h2-3,8-10H,4-7,11H2,1H3,(H,21,22).
What are the key properties of 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 390.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 90400995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).