4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide

C18H20FN5O2S — CID 90398688

IUPAC4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
SMILESCC(C)Oc1cc2c(-c3cc(N4CCS(=O)CC4)ncn3)n[nH]c2cc1F
InChIInChI=1S/C18H20FN5O2S/c1-11(2)26-16-7-12-14(8-13(16)19)22-23-18(12)15-9-17(21-10-20-15)24-3-5-27(25)6-4-24/h7-11H,3-6H2,1-2H3,(H,22,23)
InChIKeyPTLYPUQTGZQDAJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.51
Rot. Bonds4

About 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide

4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide (PubChem CID 90398688) has the molecular formula C18H20FN5O2S and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
PubChem CID90398688
Molecular FormulaC18H20FN5O2S
Molecular Weight389.46 g/mol
Exact Mass389.13
IUPAC Name4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
SMILESCC(C)Oc1cc2c(-c3cc(N4CCS(=O)CC4)ncn3)n[nH]c2cc1F
InChIInChI=1S/C18H20FN5O2S/c1-11(2)26-16-7-12-14(8-13(16)19)22-23-18(12)15-9-17(21-10-20-15)24-3-5-27(25)6-4-24/h7-11H,3-6H2,1-2H3,(H,22,23)
InChIKeyPTLYPUQTGZQDAJ-UHFFFAOYSA-N
XLogP2.51
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide (CID 90398688) is 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide is CC(C)Oc1cc2c(-c3cc(N4CCS(=O)CC4)ncn3)n[nH]c2cc1F.
What is the InChIKey of 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The InChIKey is PTLYPUQTGZQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2S/c1-11(2)26-16-7-12-14(8-13(16)19)22-23-18(12)15-9-17(21-10-20-15)24-3-5-27(25)6-4-24/h7-11H,3-6H2,1-2H3,(H,22,23).
What are the key properties of 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide has a molecular weight of 389.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 90398688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).