4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide

C19H20FN5O2S — CID 78323360

IUPAC4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide
SMILESCC1(Oc2cc3c(-c4cc(N5CCS(=O)CC5)ncn4)n[nH]c3cc2F)CC1
InChIInChI=1S/C19H20FN5O2S/c1-19(2-3-19)27-16-8-12-14(9-13(16)20)23-24-18(12)15-10-17(22-11-21-15)25-4-6-28(26)7-5-25/h8-11H,2-7H2,1H3,(H,23,24)
InChIKeyZVJZHMPOMSPORM-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.66
Rot. Bonds4

About 4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide

4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide (PubChem CID 78323360) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide
PubChem CID78323360
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC Name4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide
SMILESCC1(Oc2cc3c(-c4cc(N5CCS(=O)CC5)ncn4)n[nH]c3cc2F)CC1
InChIInChI=1S/C19H20FN5O2S/c1-19(2-3-19)27-16-8-12-14(9-13(16)20)23-24-18(12)15-10-17(22-11-21-15)25-4-6-28(26)7-5-25/h8-11H,2-7H2,1H3,(H,23,24)
InChIKeyZVJZHMPOMSPORM-UHFFFAOYSA-N
XLogP2.66
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide (CID 78323360) is 4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide is CC1(Oc2cc3c(-c4cc(N5CCS(=O)CC5)ncn4)n[nH]c3cc2F)CC1.
What is the InChIKey of 4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The InChIKey is ZVJZHMPOMSPORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-19(2-3-19)27-16-8-12-14(9-13(16)20)23-24-18(12)15-10-17(22-11-21-15)25-4-6-28(26)7-5-25/h8-11H,2-7H2,1H3,(H,23,24).
What are the key properties of 4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide has a molecular weight of 401.47 g/mol, XLogP of 2.66, 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-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 78323360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).