(6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

C21H24FN5O2S — CID 90617774

IUPAC(6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2cc(F)ccc12)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H24FN5O2S/c22-14-1-2-17-18(13-14)24-25-19(17)20(28)27-8-3-15(4-9-27)26-10-5-16(6-11-26)29-21-23-7-12-30-21/h1-2,7,12-13,15-16H,3-6,8-11H2,(H,24,25)
InChIKeyACYZGBYKGWGJEW-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.31
Rot. Bonds4

About (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

(6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 90617774) has the molecular formula C21H24FN5O2S and a molecular weight of 429.52 g/mol. Its IUPAC name is (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID90617774
Molecular FormulaC21H24FN5O2S
Molecular Weight429.52 g/mol
Exact Mass429.16
IUPAC Name(6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2cc(F)ccc12)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C21H24FN5O2S/c22-14-1-2-17-18(13-14)24-25-19(17)20(28)27-8-3-15(4-9-27)26-10-5-16(6-11-26)29-21-23-7-12-30-21/h1-2,7,12-13,15-16H,3-6,8-11H2,(H,24,25)
InChIKeyACYZGBYKGWGJEW-UHFFFAOYSA-N
XLogP3.31
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 90617774) is (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is O=C(c1n[nH]c2cc(F)ccc12)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is ACYZGBYKGWGJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S/c22-14-1-2-17-18(13-14)24-25-19(17)20(28)27-8-3-15(4-9-27)26-10-5-16(6-11-26)29-21-23-7-12-30-21/h1-2,7,12-13,15-16H,3-6,8-11H2,(H,24,25).
What are the key properties of (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
(6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 429.52 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indazol-3-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90617774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).